Geometry & MOs

Info

ID:	367515
PubChem CID:	127324866
Reduced:	O2N6C21H28 (1)
Stoich.:	A2B6C21D28 (1)
Weight, g/mol:	394.198046
ΔH_f, kcal/mol:	-25.45
Dipole, Da:	2.67
IP(EA), eV:	-8.64(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2C(CCC(=O)N2C)C(=O)NC3CCN(CC3)C4=CC=CC=N4

DOS

IR

Vibrations