Geometry & MOs

Info

ID:	233852
PubChem CID:	92098541
Reduced:	O2N5C22H23 (1)
Stoich.:	A2B5C22D23 (1)
Weight, g/mol:	362.149124
ΔH_f, kcal/mol:	17.46
Dipole, Da:	10.38
IP(EA), eV:	-8.39(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-3H-benzimidazole-5-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C2=CC=CC=C21)CC(=O)NC3CCC(CC3)OC4=NC=CN=C4C#N

DOS

IR

Vibrations