Geometry & MOs

Info

ID:	322446
PubChem CID:	126670182
Reduced:	NC20H25 (1)
Stoich.:	AB20C25 (1)
Weight, g/mol:	454.142361
ΔH_f, kcal/mol:	-1.07
Dipole, Da:	2.82
IP(EA), eV:	-9.02(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-(3-chlorophenyl)-N-[1-[1-[4-(trifluoromethyl)phenyl]isoquinolin-3-yl]ethyl]ethanamine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=CC(=NC3=C2CCCC3)C(C)C)C

DOS

IR

Vibrations