Geometry & MOs

Info

ID:	150419
PubChem CID:	53790109
Reduced:	O5N6C38H54 (1)
Stoich.:	A5B6C38D54 (1)
Weight, g/mol:	378.157957
ΔH_f, kcal/mol:	-102.12
Dipole, Da:	6.55
IP(EA), eV:	-8.58(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-O-methyl 5-O-(pyridin-2-ylmethyl) 2,6-dimethyl-4-phenyl-3,4-dihydropyridine-3,5-dicarboxylate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCC1=CC(=O)N(C1=O)N(C(=O)C=O)N(C)C2=CC(=CC(=C2O)N3NC4=CC=CC=C4N3)C

DOS

IR

Vibrations