Geometry & MOs

Info

ID:	326845
PubChem CID:	126688396
Reduced:	BrN3O5C13H16 (1)
Stoich.:	AB3C5D13E16 (1)
Weight, g/mol:	472.192212
ΔH_f, kcal/mol:	-115.16
Dipole, Da:	6.13
IP(EA), eV:	-9.32(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(difluoromethyl)-N-[6-(6,6-dimethyl-2-oxo-1,3-oxazinan-3-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]benzamide

Drug info:

PubChemData

Smile

C1COCC(=O)N1C2=C(C=C(C(=C2)[N+](=O)[O-])NCCCO)Br

DOS

IR

Vibrations