Geometry & MOs

Info

ID:	224776
PubChem CID:	85350780
Reduced:	OSN2H24C25 (1)
Stoich.:	ABC2D24E25 (1)
Weight, g/mol:	506.150954
ΔH_f, kcal/mol:	39.79
Dipole, Da:	2.56
IP(EA), eV:	-8.48(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-chlorophenyl)-[4-indol-3-ylidene-2-(4-methoxyphenyl)-3,5-dihydro-2H-1,5-benzoxazepin-3-yl]diazene

Drug info:

PubChemData

Smile

CC=C1CN2CC(C3=C4C2CC1CC(=O)N4C5=CC=CC=C53)SC6=CC=CC=C6

DOS

IR

Vibrations