Geometry & MOs

Info

ID:	274773
PubChem CID:	103811566
Reduced:	ClO2N3C11H16 (1)
Stoich.:	AB2C3D11E16 (1)
Weight, g/mol:	301.09819
ΔH_f, kcal/mol:	-66.98
Dipole, Da:	4.37
IP(EA), eV:	-9.1(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-chloro-5-methylpyridin-3-yl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1Cl)NC(=O)CNCCOC

DOS

IR

Vibrations