Geometry & MOs

Info

ID:	272788
PubChem CID:	103757016
Reduced:	ClN2C13H17 (1)
Stoich.:	AB2C13D17 (1)
Weight, g/mol:	258.092376
ΔH_f, kcal/mol:	51.23
Dipole, Da:	6.34
IP(EA), eV:	-8.77(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-chloropyridin-4-yl)-1,2,4,5-tetrahydro-3-benzazepine

Drug info:

PubChemData

Smile

C1CC1CN(CC2CC2)C3=CC(=NC=C3)Cl

DOS

IR

Vibrations