Geometry & MOs

Info

ID:	217566
PubChem CID:	85088008
Reduced:	PN4O7C13H21 (1)
Stoich.:	AB4C7D13E21 (1)
Weight, g/mol:	376.138284
ΔH_f, kcal/mol:	-305.35
Dipole, Da:	7.85
IP(EA), eV:	-9.62(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-[2-cyano-3-(diethylamino)-3-oxoprop-1-enyl]-2-hydroxy-3-nitrophenyl] N-ethylcarbamate

Drug info:

PubChemData

Smile

CCOC(=O)C(C)NOP1(=O)COC(CO1)CN2C=CC(=NC2=O)N

DOS

IR

Vibrations