Geometry & MOs

Info

ID:	438923
PubChem CID:	135228684
Reduced:	NC12H17 (1)
Stoich.:	AB12C17 (1)
Weight, g/mol:	435.288577
ΔH_f, kcal/mol:	31.06
Dipole, Da:	1.16
IP(EA), eV:	-8.68(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z,7E)-5-acetyl-11-[(Z)-1-amino-3-propyliminoprop-1-en-2-yl]-10-ethyl-8-methyl-2-propan-2-yl-2,3-dihydro-1H-3-benzazecin-6-one

Drug info:

PubChemData

Smile

CC=N/C=C(\C)/C1=CCCC=C1C

DOS

IR

Vibrations