Geometry & MOs

Info

ID:	347898
PubChem CID:	127272960
Reduced:	O2N6C19H22 (1)
Stoich.:	A2B6C19D22 (1)
Weight, g/mol:	385.21139
ΔH_f, kcal/mol:	21.91
Dipole, Da:	6.14
IP(EA), eV:	-8.36(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C(=C(C=N1)C(=O)NC2=CC3=C(C=C2)N=C(N3)N4CCOCC4)C5CC5

DOS

IR

Vibrations