Geometry & MOs

Info

ID:	326871
PubChem CID:	126688455
Reduced:	N3O5C14H19 (1)
Stoich.:	A3B5C14D19 (1)
Weight, g/mol:	458.176562
ΔH_f, kcal/mol:	-130.12
Dipole, Da:	3.95
IP(EA), eV:	-8.66(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(difluoromethyl)-N-[1-[(2R)-4-hydroxybutan-2-yl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide

Drug info:

PubChemData

Smile

CC(CCO)NC1=C(C=C(C=C1)N2CCCOC2=O)[N+](=O)[O-]

DOS

IR

Vibrations