Geometry & MOs

Info

ID:	50345
PubChem CID:	12012867
Reduced:	ON2H18C20 (1)
Stoich.:	AB2C18D20 (1)
Weight, g/mol:	380.05243
ΔH_f, kcal/mol:	34.43
Dipole, Da:	4.06
IP(EA), eV:	-8.15(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6E)-2-bromo-4-methyl-6-(1,2,3,5-tetrahydrobenzo[h][1,5]benzodiazepin-4-ylidene)cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CC1=C/C(=C\2/CCNC3=CC4=CC=CC=C4C=C3N2)/C(=O)C=C1

DOS

IR

Vibrations