Geometry & MOs

Info

ID:	390584
PubChem CID:	134999829
Reduced:	NO2C7H8 (2)
Stoich.:	AB2C7D8 (2)
Weight, g/mol:	247.082013
ΔH_f, kcal/mol:	-54.48
Dipole, Da:	3.24
IP(EA), eV:	-8.76(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]carbamate

Drug info:

PubChemData

Smile

CCCCOC(=O)C1=C(N(C2=CC=CC=C2[N+]1=O)[O-])C

DOS

IR

Vibrations