Geometry & MOs

Info

ID:	220592
PubChem CID:	85197922
Reduced:	NO3C21H21 (1)
Stoich.:	AB3C21D21 (1)
Weight, g/mol:	335.163377
ΔH_f, kcal/mol:	-64.73
Dipole, Da:	5.64
IP(EA), eV:	-9.21(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(4-aminobenzoyl)-3,4-dihydro-2H-1-benzazepin-5-ylidene]-N-methylacetamide

Drug info:

PubChemData

Smile

CC=C(C)C(=O)N(C1=C(C=CC=C1C)C)C(=O)C(=O)C2=CC=CC=C2

DOS

IR

Vibrations