Geometry & MOs

Info

ID:	148464
PubChem CID:	53788126
Reduced:	NO2C16H17 (1)
Stoich.:	AB2C16D17 (1)
Weight, g/mol:	607.31093
ΔH_f, kcal/mol:	-17.79
Dipole, Da:	5.01
IP(EA), eV:	-8.8(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

bis(1-adamantyl) 4-[2-(difluoromethoxy)phenyl]-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2=C(N=CC=C2)C=CCCO

DOS

IR

Vibrations