Geometry & MOs

Info

ID:	122698
PubChem CID:	50817568
Reduced:	FO3N4H21C22 (1)
Stoich.:	AB3C4D21E22 (1)
Weight, g/mol:	431.161184
ΔH_f, kcal/mol:	-61.67
Dipole, Da:	6.07
IP(EA), eV:	-8.62(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[N-(3-chloro-2-methylphenyl)-N'-(oxolan-2-ylmethyl)carbamimidoyl]-3,5-dimethoxybenzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations