Geometry & MOs

Info

ID:	151266
PubChem CID:	53790966
Reduced:	N3O4H15C16 (1)
Stoich.:	A3B4C15D16 (1)
Weight, g/mol:	375.204573
ΔH_f, kcal/mol:	-20.08
Dipole, Da:	7.76
IP(EA), eV:	-10.25(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

decyl 5-(3-nitrophenyl)-3-oxopent-4-enoate

Drug info:

PubChemData

Smile

CC1=NC(=C(C(C1C#N)C2=CC=CC=C2[N+](=O)[O-])C(=O)OC)C

DOS

IR

Vibrations