Geometry & MOs

Info

ID:	200089
PubChem CID:	79345726
Reduced:	BrNSO3C10H14 (1)
Stoich.:	ABCD3E10F14 (1)
Weight, g/mol:	240.074621
ΔH_f, kcal/mol:	-107.49
Dipole, Da:	2.5
IP(EA), eV:	-9.66(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxyethyl N-(4-methyl-2-nitrophenyl)carbamate

Drug info:

PubChemData

Smile

CCN(CC1=CC=C(S1)Br)C(=O)OCCO

DOS

IR

Vibrations