Geometry & MOs

Info

ID:	124549
PubChem CID:	50887214
Reduced:	N4O5C22H24 (1)
Stoich.:	A4B5C22D24 (1)
Weight, g/mol:	452.137222
ΔH_f, kcal/mol:	-29.9
Dipole, Da:	11.88
IP(EA), eV:	-8.59(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[5-[(E)-(1-benzyl-5-cyano-4-methyl-2,6-dioxopyridin-3-ylidene)methyl]furan-2-yl]benzoate

Drug info:

PubChemData

Smile

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=CC3=CC(=C(C(=C3)OC)OC(C)C)[N+](=O)[O-]

DOS

IR

Vibrations