Geometry & MOs

Info

ID:	405677
PubChem CID:	135074972
Reduced:	O3C22H22 (1)
Stoich.:	A3B22C22 (1)
Weight, g/mol:	356.100836
ΔH_f, kcal/mol:	-40.85
Dipole, Da:	3.15
IP(EA), eV:	-9.45(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl [(E)-3-[2-[(4-nitrobenzoyl)amino]phenyl]prop-2-enyl] carbonate

Drug info:

PubChemData

Smile

CCCC(C#CC1=CC=CC=C1)O/C(=C/C(=O)OC)/C2=CC=CC=C2

DOS

IR

Vibrations