Geometry & MOs

Info

ID:	342331
PubChem CID:	127265112
Reduced:	N2O2C13H18 (1)
Stoich.:	A2B2C13D18 (1)
Weight, g/mol:	266.118591
ΔH_f, kcal/mol:	-31.63
Dipole, Da:	3.64
IP(EA), eV:	-8.91(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)but-2-enamide;hydrochloride

Drug info:

PubChemData

Smile

CC1=CC=C(O1)C=CC(=O)NCCNC2CC2

DOS

IR

Vibrations