Geometry & MOs

Info

ID:	89961
PubChem CID:	49965611
Reduced:	O6N7H19C21 (1)
Stoich.:	A6B7C19D21 (1)
Weight, g/mol:	404.137222
ΔH_f, kcal/mol:	-18.56
Dipole, Da:	11.17
IP(EA), eV:	-9.15(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 6-amino-5-cyano-4-(4-methoxycarbonylphenyl)-2-methyl-4H-pyran-3-carboxylate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2C(=C(OC3=NNC(=C23)CC(=O)OC)N)C#N)CN4C=C(C=N4)[N+](=O)[O-]

DOS

IR

Vibrations