Geometry & MOs

Info

ID:	58408
PubChem CID:	24698238
Reduced:	NOCl2C10H13 (1)
Stoich.:	ABC2D10E13 (1)
Weight, g/mol:	266.141913
ΔH_f, kcal/mol:	-52.76
Dipole, Da:	5.32
IP(EA), eV:	-8.78(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-phenyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

Drug info:

PubChemData

Smile

CCCNCC1=C(C(=CC(=C1)Cl)Cl)O

DOS

IR

Vibrations