Geometry & MOs

Info

ID:	369949
PubChem CID:	127336898
Reduced:	O3N5C18H21 (1)
Stoich.:	A3B5C18D21 (1)
Weight, g/mol:	325.153875
ΔH_f, kcal/mol:	-47.72
Dipole, Da:	2.05
IP(EA), eV:	-8.63(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyano-N-(2-morpholin-4-yl-3H-benzimidazol-5-yl)cyclobutane-1-carboxamide

Drug info:

PubChemData

Smile

C1COCCC1(C#N)C(=O)NC2=CC3=C(C=C2)N=C(N3)N4CCOCC4

DOS

IR

Vibrations