Geometry & MOs

Info

ID:	424640
PubChem CID:	135123458
Reduced:	NOC6H8 (2)
Stoich.:	ABC6D8 (2)
Weight, g/mol:	212.108026
ΔH_f, kcal/mol:	-72.41
Dipole, Da:	7.9
IP(EA), eV:	-9.72(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S)-6-ethyl-6,7,8,9-tetrahydro-5H-pyrido[2,3-c]azepine;hydrochloride

Drug info:

PubChemData

Smile

CC[C@H]1CC2=C(CN(C1)C(=O)O)N=CC=C2

DOS

IR

Vibrations