Geometry & MOs

Info

ID:	315370
PubChem CID:	126625721
Reduced:	OF4N5H19C22 (1)
Stoich.:	AB4C5D19E22 (1)
Weight, g/mol:	426.193487
ΔH_f, kcal/mol:	-123.87
Dipole, Da:	4.69
IP(EA), eV:	-8.94(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyano-N-[N-[1,3-diamino-3-(4-chlorophenyl)propyl]-N'-(2-methylpropyl)carbamimidoyl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=CC(=NN2)NC(=NC3CC3)NC(=O)C4=CC=C(C=C4)C(F)(F)F)F

DOS

IR

Vibrations