Geometry & MOs

Info

ID:	326909
PubChem CID:	126688631
Reduced:	NOC12H15 (1)
Stoich.:	ABC12D15 (1)
Weight, g/mol:	428.125133
ΔH_f, kcal/mol:	6.22
Dipole, Da:	3.27
IP(EA), eV:	-10.11(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide

Drug info:

PubChemData

Smile

CC1CC1/C=C/C(C2=CC=NC=C2)O

DOS

IR

Vibrations