Geometry & MOs

Info

ID:	122714
PubChem CID:	50818488
Reduced:	F2O2N4H18C21 (1)
Stoich.:	A2B2C4D18E21 (1)
Weight, g/mol:	426.150347
ΔH_f, kcal/mol:	-77.41
Dipole, Da:	6.04
IP(EA), eV:	-8.91(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[N-(3,5-difluorophenyl)-N'-(pyridin-2-ylmethyl)carbamimidoyl]-3,5-dimethoxybenzamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C(=O)NC(=NCC2=CC=CC=N2)NC3=CC(=CC(=C3)F)F

DOS

IR

Vibrations