Geometry & MOs

Info

ID:	157941
PubChem CID:	56459330
Reduced:	ClO3N4C19H25 (1)
Stoich.:	AB3C4D19E25 (1)
Weight, g/mol:	394.225643
ΔH_f, kcal/mol:	-127.45
Dipole, Da:	5.66
IP(EA), eV:	-9.16(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methylbutanoyl)-N-[2-(3-methylphenoxy)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Drug info:

PubChemData

Smile

CN(C)C(CNC(=O)C1CCC2(CC1)C(=O)NC(=O)N2)C3=CC=CC=C3Cl

DOS

IR

Vibrations