Geometry & MOs

Info

ID:	235521
PubChem CID:	92709911
Reduced:	ClN2O3C21H25 (1)
Stoich.:	AB2C3D21E25 (1)
Weight, g/mol:	430.119654
ΔH_f, kcal/mol:	-71.78
Dipole, Da:	2.9
IP(EA), eV:	-8.83(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-N-(2-chlorophenyl)-4-(3-hydroxyphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxamide

Drug info:

PubChemData

Smile

C1CN([C@H](CN1CC2=CC3=C(C=C2Cl)OCO3)CCO)CC4=CC=CC=C4

DOS

IR

Vibrations