Geometry & MOs

Info

ID:	380022
PubChem CID:	134964494
Reduced:	NH14C18 (1)
Stoich.:	AB14C18 (1)
Weight, g/mol:	173.120449
ΔH_f, kcal/mol:	99.52
Dipole, Da:	1.62
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.334761
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-ethenyl-2,3,4,5-tetrahydro-1H-1-benzazepine

Drug info:

PubChemData

Smile

C=C1C=C([N-]C(=C1)C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations