Geometry & MOs

Info

ID:	51543
PubChem CID:	12014227
Reduced:	O27C113H216 (1)
Stoich.:	A27B113C216 (1)
Weight, g/mol:	362.165723
ΔH_f, kcal/mol:	-1452.43
Dipole, Da:	9.59
IP(EA), eV:	-8.15(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-methyl-2,5,7-triphenylpyrazolo[1,5-a]pyrimidin-4-ium

Drug info:

Smile

CCCCC1(OCC(CO1)(C)COCC(COCC(CO)COCC(C)(COCC(CO)COCC(COCC2(COC(OC2)(CCCC)CCCC)C)COCC3(COC(OC3)(CCCC)CCCC)C)COCC(CO)COCC(COCC4(COC(OC4)(CCCC)CCCC)C)COCC5(COC(OC5)(CCCC)CCCC)C)COCC6(COC(OC6)(CCCC)CCCC)C)CCCC

DOS

IR

Vibrations