Geometry & MOs

Info

ID:	121553
PubChem CID:	50773216
Reduced:	OF3N4H21C23 (1)
Stoich.:	AB3C4D21E23 (1)
Weight, g/mol:	402.169191
ΔH_f, kcal/mol:	-115.58
Dipole, Da:	9.37
IP(EA), eV:	-8.97(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[N-(3,4-dimethylphenyl)-N'-(pyridin-4-ylmethyl)carbamimidoyl]-1,3-benzodioxole-5-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations