Geometry & MOs

Info

ID:	212326
PubChem CID:	81060148
Reduced:	SN3C16H19 (1)
Stoich.:	AB3C16D19 (1)
Weight, g/mol:	281.152812
ΔH_f, kcal/mol:	34.07
Dipole, Da:	4.02
IP(EA), eV:	-8.55(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-methoxyphenyl)methyl-methylamino]-2,6-dimethylpyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CNC2=C(C(=NC(=C2)C)C)C(=S)N

DOS

IR

Vibrations