Geometry & MOs

Info

ID:	392931
PubChem CID:	135018562
Reduced:	OH12C17 (1)
Stoich.:	AB12C17 (1)
Weight, g/mol:	481.200156
ΔH_f, kcal/mol:	113.05
Dipole, Da:	2.1
IP(EA), eV:	-8.57(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 4-[(4-cyanobenzoyl)-[(4-methoxyphenyl)methyl]amino]-3,6-dihydro-2H-pyridine-1-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C#CC2=CC=CC(=C2)C#C

DOS

IR

Vibrations