Geometry & MOs

Info

ID:	413418
PubChem CID:	135086367
Reduced:	NSO2C13H17 (1)
Stoich.:	ABC2D13E17 (1)
Weight, g/mol:	220.084792
ΔH_f, kcal/mol:	-40.69
Dipole, Da:	5.36
IP(EA), eV:	-9.92(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-3-(4-nitrophenyl)pent-3-en-2-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)/N=C/C(C)CC=C

DOS

IR

Vibrations