Geometry & MOs

Info

ID:	122697
PubChem CID:	50817377
Reduced:	O3N4C22H26 (1)
Stoich.:	A3B4C22D26 (1)
Weight, g/mol:	408.159769
ΔH_f, kcal/mol:	-83.48
Dipole, Da:	5.38
IP(EA), eV:	-8.48(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[N-(4-fluorophenyl)-N'-(pyridin-3-ylmethyl)carbamimidoyl]-3,4-dimethoxybenzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=NCC2CCCO2)NC(=O)C3=CC=C(C=C3)NC(=O)C

DOS

IR

Vibrations