Geometry & MOs

Info

ID:	158069
PubChem CID:	56462767
Reduced:	N3O3C26H33 (1)
Stoich.:	A3B3C26D33 (1)
Weight, g/mol:	420.166077
ΔH_f, kcal/mol:	-130.9
Dipole, Da:	7.66
IP(EA), eV:	-8.92(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CC(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=CC=C(C=C3)C(=O)NC(C)(C)C

DOS

IR

Vibrations