Geometry & MOs

Info

ID:	431192
PubChem CID:	135171262
Reduced:	O2N5C22H27 (1)
Stoich.:	A2B5C22D27 (1)
Weight, g/mol:	415.237211
ΔH_f, kcal/mol:	-27.27
Dipole, Da:	9.15
IP(EA), eV:	-9.06(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N-[(1S,3R)-3-(indolizin-2-ylmethylamino)cyclohexyl]-1H-benzimidazole-2-carboxamide

Drug info:

PubChemData

Smile

CCN([C@H]1CCC[C@H](C1)NCC2=CC(=O)NC=C2)C(=O)C3=CC4=C(N3)C=CC=N4

DOS

IR

Vibrations