Geometry & MOs

Info

ID:	315352
PubChem CID:	126625682
Reduced:	IO3C15H27 (1)
Stoich.:	AB3C15D27 (1)
Weight, g/mol:	435.224595
ΔH_f, kcal/mol:	-173.01
Dipole, Da:	2.77
IP(EA), eV:	-9.82(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[N-[1,3-diamino-3-(3-fluoro-4-methylphenyl)propyl]-N'-(2-methylpropyl)carbamimidoyl]-3,4-difluorobenzamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C1CCC(CC1)COCCCI

DOS

IR

Vibrations