Geometry & MOs

Info

ID:	357211
PubChem CID:	127293715
Reduced:	OSN6C12H16 (1)
Stoich.:	ABC6D12E16 (1)
Weight, g/mol:	399.22704
ΔH_f, kcal/mol:	21.98
Dipole, Da:	2.99
IP(EA), eV:	-8.9(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-butanoyl-N-(2-morpholin-4-yl-3H-benzimidazol-5-yl)piperidine-2-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCSC1)C(=O)CN2C=NC3=C(N=CN=C32)N

DOS

IR

Vibrations