Geometry & MOs

Info

ID:	156970
PubChem CID:	56404169
Reduced:	O3N4C26H34 (1)
Stoich.:	A3B4C26D34 (1)
Weight, g/mol:	428.278741
ΔH_f, kcal/mol:	-98.99
Dipole, Da:	6.89
IP(EA), eV:	-8.88(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-3-oxopropyl]-3-ethylbenzimidazol-2-one

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)CC2CCN(CC2)C(=O)C3=CC=C(C=C3)NC(=O)NC4=CC=CC=C4

DOS

IR

Vibrations