Geometry & MOs

Info

ID:	127220
PubChem CID:	50995047
Reduced:	N2O3H24C25 (1)
Stoich.:	A2B3C24D25 (1)
Weight, g/mol:	422.124212
ΔH_f, kcal/mol:	-46.75
Dipole, Da:	8.25
IP(EA), eV:	-8.53(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-isoquinolin-7-yl-4-methylphenyl)-3-(trifluoromethoxy)benzamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)N(C)C)C3=CC=CC(=C3)/C=C/C(=O)O

DOS

IR

Vibrations