Geometry & MOs

Info

ID:	207073
PubChem CID:	80342452
Reduced:	N2O4H12C13 (1)
Stoich.:	A2B4C12D13 (1)
Weight, g/mol:	268.157563
ΔH_f, kcal/mol:	-36.05
Dipole, Da:	5.1
IP(EA), eV:	-9.77(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyridin-4-yl]ethanol

Drug info:

PubChemData

Smile

CC(C1=CC(=NC=C1)OC2=CC=CC(=C2)[N+](=O)[O-])O

DOS

IR

Vibrations