Geometry & MOs

Info

ID:	320738
PubChem CID:	126663147
Reduced:	N3O8H25C26 (1)
Stoich.:	A3B8C25D26 (1)
Weight, g/mol:	232.121178
ΔH_f, kcal/mol:	-230.8
Dipole, Da:	2.68
IP(EA), eV:	-8.24(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,4-dimethyl-5-oxo-3,4-dihydro-2H-1-benzazepin-9-yl)formamide

Drug info:

PubChemData

Smile

CC1CN(C2=CC(=C3C(=C12)C(=CN3)C(=O)OC)OC=O)C(=O)C4=CC5=CC(=C(C(=C5N4)OC)OC)OC

DOS

IR

Vibrations