Geometry & MOs

Info

ID:	300449
PubChem CID:	121283345
Reduced:	O2N4F5C28H31 (1)
Stoich.:	A2B4C5D28E31 (1)
Weight, g/mol:	462.224261
ΔH_f, kcal/mol:	-265.61
Dipole, Da:	5.38
IP(EA), eV:	-8.26(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-acetyl-3,4-dihydro-1H-isoquinolin-5-yl)amino]-N-[2-(methylamino)ethyl]-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide

Drug info:

PubChemData

Smile

C1CC1CN2CCC3=C(C2)C(=CC=C3)NCC(=O)N(CC4=CC=CC=C4C(F)(F)F)CC(=O)N5CC(C5)(F)F

DOS

IR

Vibrations