Geometry & MOs

Info

ID:	163271
PubChem CID:	57682327
Reduced:	FO2N3C20H26 (1)
Stoich.:	AB2C3D20E26 (1)
Weight, g/mol:	433.208945
ΔH_f, kcal/mol:	-99.86
Dipole, Da:	4.26
IP(EA), eV:	-8.79(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4,4-dimethyl-2,3-dihydro-1H-isoquinolin-7-yl)-4-[3-(trifluoromethyl)pyridin-2-yl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1C(=O)NC2=CC=CC=C2C(C)(C3CCCCC3)O)F)C

DOS

IR

Vibrations