Geometry & MOs

Info

ID:	395792
PubChem CID:	135026549
Reduced:	ClN2O7C23H27 (1)
Stoich.:	AB2C7D23E27 (1)
Weight, g/mol:	311.152144
ΔH_f, kcal/mol:	-288.45
Dipole, Da:	6.11
IP(EA), eV:	-9.5(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (E)-3-(1-benzyl-4-oxopyridin-3-yl)prop-2-enoate

Drug info:

PubChemData

Smile

CCOC(=O)[C@H]1[C@@H](N(C(=O)N1C(=O)OCC2=CC=CC=C2)C(=O)OCC)C3=C(CCCC3)Cl

DOS

IR

Vibrations