Geometry & MOs

Info

ID:	122691
PubChem CID:	50817371
Reduced:	FN3O3C20H22 (1)
Stoich.:	AB3C3D20E22 (1)
Weight, g/mol:	423.116126
ΔH_f, kcal/mol:	-108.73
Dipole, Da:	3.3
IP(EA), eV:	-8.63(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[N-(5-chloro-2-methoxyphenyl)-N'-(oxolan-2-ylmethyl)carbamimidoyl]-3,4-difluorobenzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations