Geometry & MOs

Info

ID:	121548
PubChem CID:	50773165
Reduced:	O3N4H20C22 (1)
Stoich.:	A3B4C20D22 (1)
Weight, g/mol:	458.156575
ΔH_f, kcal/mol:	-6.85
Dipole, Da:	7.29
IP(EA), eV:	-8.32(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)NC(=NCC2=CC=NC=C2)NC3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations