Geometry & MOs

Info

ID:	449085
PubChem CID:	135295907
Reduced:	PO7N10C31H41 (1)
Stoich.:	AB7C10D31E41 (1)
Weight, g/mol:	360.147393
ΔH_f, kcal/mol:	-251.93
Dipole, Da:	1.74
IP(EA), eV:	-9.38(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-cyano-2,6-dimethyl-4-(4-pyridin-2-ylphenyl)-4H-pyran-3-carboxylate

Drug info:

PubChemData

Smile

CC[C@@H]1CN(CC(O1)N2C=C(C(=O)NC2=O)C)P(=O)(N(C)C)OC[C@@H]3CN(CC(O3)N4C=NC5=C(N=CN=C54)NC(=O)C6=CC=CC=C6)C

DOS

IR

Vibrations