Geometry & MOs

Info

ID:	121552
PubChem CID:	50773215
Reduced:	O2F3N5H20C23 (1)
Stoich.:	A2B3C5D20E23 (1)
Weight, g/mol:	426.166746
ΔH_f, kcal/mol:	-148.09
Dipole, Da:	11.29
IP(EA), eV:	-8.96(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dimethyl-N-[N'-(pyridin-4-ylmethyl)-N-[3-(trifluoromethyl)phenyl]carbamimidoyl]benzamide

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)C(=O)NC(=NCC2=CC=NC=C2)NC3=CC=CC(=C3)C(F)(F)F

DOS

IR

Vibrations