Geometry & MOs

Info

ID:	218068
PubChem CID:	85088814
Reduced:	N3O5C23H27 (1)
Stoich.:	A3B5C23D27 (1)
Weight, g/mol:	429.226371
ΔH_f, kcal/mol:	-84.82
Dipole, Da:	5.07
IP(EA), eV:	-8.31(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[7-(3-hydroxypropoxy)-3-(3-methoxyanilino)-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrazol-6-yl]oxy]propan-1-ol

Drug info:

PubChemData

Smile

CCCC=NOCC(=O)N1CCCC(=N1)C2=CC(=C(C=C2)OC)OC3=CC=C(C=C3)O

DOS

IR

Vibrations