Geometry & MOs

Info

ID:	422098
PubChem CID:	135117194
Reduced:	N3O7C34H39 (1)
Stoich.:	A3B7C34D39 (1)
Weight, g/mol:	405.162332
ΔH_f, kcal/mol:	-81.61
Dipole, Da:	15.79
IP(EA), eV:	-6.61(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(methylamino)-1,3-thiazol-4-yl]-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone

Drug info:

PubChemData

Smile

COC1=C(C=C2C3C4=CC=C(C=C4)OCCOCCN(CC(=O)N3CCC2=C1)C(=O)C5=CC=CC=C5N6CCOCC6)OC

DOS

IR

Vibrations