Geometry & MOs

Info

ID:	7128
PubChem CID:	71319
Reduced:	ClN2C18H21 (1)
Stoich.:	AB2C18D21 (1)
Weight, g/mol:	300.139326
ΔH_f, kcal/mol:	43.66
Dipole, Da:	2.47
IP(EA), eV:	-8.48(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(9-chloro-5,6-dihydropyrrolo[1,2-c][3]benzazepin-11-ylidene)-N,N-dimethylpropan-1-amine

Drug info:

PubChemData

Smile

CN(C)CCC=C1C2=CC=CN2CCC3=C1C=C(C=C3)Cl

DOS

IR

Vibrations