Geometry & MOs

Info

ID:	222281
PubChem CID:	85296161
Reduced:	ON2C20H26 (1)
Stoich.:	AB2C20D26 (1)
Weight, g/mol:	311.115758
ΔH_f, kcal/mol:	-12.31
Dipole, Da:	3.16
IP(EA), eV:	-8.46(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-benzyl-3-(2-nitrophenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1(C2CCC3(C(C2)C(N1)C(C4=C3NC5=CC=CC=C54)O)C)C

DOS

IR

Vibrations