Geometry & MOs

Info

ID:	48210
PubChem CID:	10537947
Reduced:	NO4C12H17 (1)
Stoich.:	AB4C12D17 (1)
Weight, g/mol:	240.074621
ΔH_f, kcal/mol:	-179.44
Dipole, Da:	4.9
IP(EA), eV:	-8.8(0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl N-(3-methoxy-2-nitrophenyl)carbamate

Drug info:

PubChemData

Smile

CC1=C(C(=CN1)CCC(=O)OC)CC(=O)OC

DOS

IR

Vibrations