Geometry & MOs

Info

ID:	175896
PubChem CID:	75966235
Reduced:	N2O2F6H18C21 (1)
Stoich.:	A2B2C6D18E21 (1)
Weight, g/mol:	458.142897
ΔH_f, kcal/mol:	-369.59
Dipole, Da:	7.52
IP(EA), eV:	-9.72(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-acetyl-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Drug info:

PubChemData

Smile

CC(=O)N1CC2=CC=CC=C2CC1C(=O)NCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations