Geometry & MOs

Info

ID:	424202
PubChem CID:	135121729
Reduced:	N4H8C9 (1)
Stoich.:	A4B8C9 (1)
Weight, g/mol:	305.087492
ΔH_f, kcal/mol:	116.85
Dipole, Da:	1.64
IP(EA), eV:	-9.49(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-2-[[4-(trifluoromethyl)phenyl]methoxycarbonylamino]propanoate

Drug info:

PubChemData

Smile

C1=CN(N=C1)/N=C/C2=CC=NC=C2

DOS

IR

Vibrations