Geometry & MOs

Info

ID:	270481
PubChem CID:	103636758
Reduced:	ClN4O4H11C12 (1)
Stoich.:	AB4C4D11E12 (1)
Weight, g/mol:	247.095691
ΔH_f, kcal/mol:	-12.14
Dipole, Da:	5.11
IP(EA), eV:	-10.51(-1.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

phenyl N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]carbamate

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CCNC(=O)C2=C(C=CC(=C2)Cl)[N+](=O)[O-]

DOS

IR

Vibrations