Geometry & MOs

Info

ID:	326837
PubChem CID:	126688347
Reduced:	FON6H13C14 (1)
Stoich.:	ABC6D13E14 (1)
Weight, g/mol:	458.176562
ΔH_f, kcal/mol:	36.11
Dipole, Da:	3.73
IP(EA), eV:	-8.84(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(3-oxo-1,4-oxazepan-4-yl)benzimidazol-2-yl]benzamide

Drug info:

PubChemData

Smile

C1CC1CNC2=NC(=NC=C2F)C3=CN4C(=NNC4=O)C=C3

DOS

IR

Vibrations