Geometry & MOs

Info

ID:	186503
PubChem CID:	77439143
Reduced:	OSN2C19H26 (1)
Stoich.:	ABC2D19E26 (1)
Weight, g/mol:	251.105862
ΔH_f, kcal/mol:	18.31
Dipole, Da:	4.83
IP(EA), eV:	-8.62(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-hydroxyphenyl)-4,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile

Drug info:

PubChemData

Smile

CN(CCO)CC(CC1=CC=CS1)NCC=CC2=CC=CC=C2

DOS

IR

Vibrations