Geometry & MOs

Info

ID:	412308
PubChem CID:	135085193
Reduced:	AlNC12H27 (1)
Stoich.:	ABC12D27 (1)
Weight, g/mol:	281.162708
ΔH_f, kcal/mol:	-49.16
Dipole, Da:	5.93
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.763001
Charge, e:	0

Chem-info

IUPAC name:

5-O-tert-butyl 3-O-ethyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

Drug info:

PubChemData

Smile

CC1(CCCC(N1[Al-](C)(C)C)(C)C)C

DOS

IR

Vibrations