Geometry & MOs

Info

ID:	308205
PubChem CID:	125317252
Reduced:	O3N4C19H22 (1)
Stoich.:	A3B4C19D22 (1)
Weight, g/mol:	344.143725
ΔH_f, kcal/mol:	-63.78
Dipole, Da:	3.69
IP(EA), eV:	-10.25(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-ethyl-1-(4-fluorophenyl)imino-3-methyl-2H-pyrido[1,2-a]benzimidazole-4-carbonitrile

Drug info:

PubChemData

Smile

CC(C)CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NCCC3=NC=NC3

DOS

IR

Vibrations