Geometry & MOs

Info

ID:	315391
PubChem CID:	126625834
Reduced:	OF2N6C22H26 (1)
Stoich.:	AB2C6D22E26 (1)
Weight, g/mol:	469.191244
ΔH_f, kcal/mol:	-59.73
Dipole, Da:	2.48
IP(EA), eV:	-9.41(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[N-(1,3-diamino-4,4,4-trifluorobutyl)-N'-(4-hydroxycyclohexyl)carbamimidoyl]-4-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

CC(C)(C)N/C(=N\C(CC(C1=CC(=CC(=C1)F)F)N)N)/NC(=O)C2=CC=CC(=C2)C#N

DOS

IR

Vibrations