Geometry & MOs

Info

ID:	126150
PubChem CID:	50953250
Reduced:	ON3C19H29 (1)
Stoich.:	AB3C19D29 (1)
Weight, g/mol:	387.179421
ΔH_f, kcal/mol:	-42.73
Dipole, Da:	4.01
IP(EA), eV:	-8.52(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(cyclopropylmethyl)-3-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-2-oxobenzimidazole-5-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C(=O)N1CCC2(CCN(C2)C)CC1)NC3=CC=CC=C3

DOS

IR

Vibrations