Geometry & MOs

Info

ID:	156867
PubChem CID:	56394802
Reduced:	ClO2N3C21H26 (1)
Stoich.:	AB2C3D21E26 (1)
Weight, g/mol:	438.182254
ΔH_f, kcal/mol:	-79.41
Dipole, Da:	4.25
IP(EA), eV:	-8.56(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(5-chloro-2-methylphenyl)pyrrolidin-3-yl]methyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Cl)N2CCC(C2)CNC(=O)C3=C(C(=C(N3)C)C(=O)C)C

DOS

IR

Vibrations