Geometry & MOs

Info

ID:	40928
PubChem CID:	8144971
Reduced:	N3O3C23H27 (1)
Stoich.:	A3B3C23D27 (1)
Weight, g/mol:	354.184447
ΔH_f, kcal/mol:	-58.38
Dipole, Da:	5.84
IP(EA), eV:	-8.73(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dimethylanilino)-2-ethyl-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile

Drug info:

PubChemData

Smile

CCOC(=O)C1CCN(CC1)CN2C3=CC=CC=C3N=C2COC4=CC=CC=C4

DOS

IR

Vibrations