Geometry & MOs

Info

ID:	122693
PubChem CID:	50817373
Reduced:	ClFN3O3C20H21 (1)
Stoich.:	ABC3D3E20F21 (1)
Weight, g/mol:	379.225977
ΔH_f, kcal/mol:	-112.5
Dipole, Da:	2.08
IP(EA), eV:	-8.91(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[N-(2,4-dimethylphenyl)-N'-(oxolan-2-ylmethyl)carbamimidoyl]-4-ethylbenzamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Cl)NC(=NCC2CCCO2)NC(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations