Geometry & MOs

Info

ID:	141334
PubChem CID:	52862193
Reduced:	NOC20H25 (1)
Stoich.:	ABC20D25 (1)
Weight, g/mol:	386.199428
ΔH_f, kcal/mol:	-16.62
Dipole, Da:	1.43
IP(EA), eV:	-8.67(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-acetyl-3-ethyl-5-methyl-1H-pyrrol-2-yl)-2-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)ethanone

Drug info:

PubChemData

Smile

CC(C)(C)OCCN1CC2=CC=CC=C2C3=CC=CC=C3C1

DOS

IR

Vibrations