Geometry & MOs

Info

ID:	14109
PubChem CID:	404645
Reduced:	N5H13C17 (1)
Stoich.:	A5B13C17 (1)
Weight, g/mol:	287.117095
ΔH_f, kcal/mol:	127.34
Dipole, Da:	1.82
IP(EA), eV:	-8.84(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-4-phenyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carbonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2C(=C(NC3=NC4=CC=CC=C4N23)N)C#N

DOS

IR

Vibrations