Geometry & MOs

Info

ID:	11467
PubChem CID:	115941
Reduced:	N2C20H27 (1)
Stoich.:	A2B20C27 (1)
Weight, g/mol:	295.217424
ΔH_f, kcal/mol:	69.36
Dipole, Da:	1.87
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.751453
Charge, e:	1

Chem-info

IUPAC name:

1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propan-2-yl-trimethylazanium

Drug info:

PubChemData

Smile

CC(CN1C2=CC=CC=C2CCC3=CC=CC=C31)[N+](C)(C)C

DOS

IR

Vibrations