Geometry & MOs

Info

ID:	159204
PubChem CID:	57264375
Reduced:	O3N4C19H20 (1)
Stoich.:	A3B4C19D20 (1)
Weight, g/mol:	453.14887
ΔH_f, kcal/mol:	-57.63
Dipole, Da:	10.05
IP(EA), eV:	-8.27(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(5,6-dihydrobenzo[b][1,4]benzoxazepine-6-carbonyl)pyridin-2-yl]-5-fluoro-2-methylbenzamide

Drug info:

PubChemData

Smile

CC1=C2C=C(CN2C=N1)C3=CC=C(C=C3)N4C(COC4=O)CNC(=O)C

DOS

IR

Vibrations