Geometry & MOs

Info

ID:	121550
PubChem CID:	50773213
Reduced:	N4O5C25H26 (1)
Stoich.:	A4B5C25D26 (1)
Weight, g/mol:	410.119047
ΔH_f, kcal/mol:	-90.4
Dipole, Da:	5.24
IP(EA), eV:	-8.16(-0.57)
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-difluorobenzamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C(=O)NC(=NCC2=CC=NC=C2)NC3=CC4=C(C=C3)OCO4)OCC

DOS

IR

Vibrations