Geometry & MOs

Info

ID:	40895
PubChem CID:	8144917
Reduced:	ClN2O4C17H19 (1)
Stoich.:	AB2C4D17E19 (1)
Weight, g/mol:	391.14514
ΔH_f, kcal/mol:	-141.99
Dipole, Da:	5.48
IP(EA), eV:	-9.15(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-4-(1-adamantyl)-6-chloro-2-oxo-1-phenyl-3,4-dihydropyridine-3,5-dicarbonitrile

Drug info:

PubChemData

Smile

CCOC(=O)C1CCN(CC1)CN2C3=C(C=C(C=C3)Cl)C(=O)C2=O

DOS

IR

Vibrations