Geometry & MOs

Info

ID:

185446

PubChem CID:

77300945

Reduced:

O2F3N4H19C24 (1)

Stoich.:

A2B3C4D19E24 (1)

Weight, g/mol:

609.278756

ΔHf, kcal/mol:

-116.49

Dipole, Da:

4.94

IP(EA), eV:

 -8.37(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[N-[N'-(aminomethyl)-N-[4-(trifluoromethoxy)phenyl]carbamimidoyl]-4-(cyclohexen-1-yl)anilino]methyl]-N-(tetrazolidin-5-yl)benzamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)C(F)(F)F)CN2C=CC3=C2C=CC(=C3)C=NNC(=O)C4=CC(=C(C=C4)O)N

DOS

IR

Vibrations