Geometry & MOs

Info

ID:	257324
PubChem CID:	103145235
Reduced:	O2N3C15H17 (1)
Stoich.:	A2B3C15D17 (1)
Weight, g/mol:	252.111007
ΔH_f, kcal/mol:	23.57
Dipole, Da:	10.31
IP(EA), eV:	-8.86(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl N-(2,5-dimethyl-4-nitrophenyl)carbamate

Drug info:

PubChemData

Smile

CC1=CN=C(C=C1)CNC2=C(C=C(C(=C2)C)[N+](=O)[O-])C

DOS

IR

Vibrations