Geometry & MOs

Info

ID:	322466
PubChem CID:	126670215
Reduced:	NC19H31 (1)
Stoich.:	AB19C31 (1)
Weight, g/mol:	386.156575
ΔH_f, kcal/mol:	-14.16
Dipole, Da:	1.97
IP(EA), eV:	-8.86(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-methyl-3-(trifluoromethoxy)phenyl] N'-[(E)-2-[[(2R)-2-aminobutanoyl]amino]prop-1-enyl]-N-methylidenecarbamimidate

Drug info:

PubChemData

Smile

CCC(C)C(C)(C)C1(CC2C(=C(C(=C)C(=N2)C)C)C1)C

DOS

IR

Vibrations