Geometry & MOs

Info

ID:	382170
PubChem CID:	134973144
Reduced:	ClO2N8C19H21 (1)
Stoich.:	AB2C8D19E21 (1)
Weight, g/mol:	277.131408
ΔH_f, kcal/mol:	136.82
Dipole, Da:	8.4
IP(EA), eV:	-8.82(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

oxolan-3-yl N-[(1S)-1-[(2S)-oxiran-2-yl]-2-phenylethyl]carbamate

Drug info:

PubChemData

Smile

CCN(CCN1C=C(N=N1)CN)C2=CC=C(C=C2)N=NC3=C(C=C(C=C3)[N+](=O)[O-])Cl

DOS

IR

Vibrations