Geometry & MOs

Info

ID:	315358
PubChem CID:	126625690
Reduced:	FON6C31H47 (1)
Stoich.:	ABC6D31E47 (1)
Weight, g/mol:	400.238688
ΔH_f, kcal/mol:	-67.08
Dipole, Da:	4.44
IP(EA), eV:	-8.42(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-N-tert-butyl-N'-[1,3-diamino-3-(4-fluorophenyl)propyl]carbamimidoyl]-2-methylpyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CC(CCN1C2CCCCCCCCC2)C(=O)NC(=NC(C)(C)C)NC3=NNC(=C3)C4=CC=C(C=C4)F

DOS

IR

Vibrations