Geometry & MOs

Info

ID:	175895
PubChem CID:	75966234
Reduced:	N3O3F6H23C24 (1)
Stoich.:	A3B3C6D23E24 (1)
Weight, g/mol:	444.127247
ΔH_f, kcal/mol:	-409.41
Dipole, Da:	4.79
IP(EA), eV:	-9.59(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)NC1CC2=CC=CC=C2CN(C1=O)CC(=O)N(C)CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations