Geometry & MOs

Info

ID:	121549
PubChem CID:	50773166
Reduced:	F3O3N4H21C23 (1)
Stoich.:	A3B3C4D21E23 (1)
Weight, g/mol:	462.19032
ΔH_f, kcal/mol:	-172.24
Dipole, Da:	11.06
IP(EA), eV:	-8.85(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[N-(1,3-benzodioxol-5-yl)-N'-(pyridin-4-ylmethyl)carbamimidoyl]-3,4-diethoxybenzamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)NC(=NCC2=CC=NC=C2)NC3=CC=CC(=C3)C(F)(F)F)OC

DOS

IR

Vibrations