Geometry & MOs

Info

ID:	212383
PubChem CID:	81060315
Reduced:	N3O3H11C14 (1)
Stoich.:	A3B3C11D14 (1)
Weight, g/mol:	260.200097
ΔH_f, kcal/mol:	31.22
Dipole, Da:	5.48
IP(EA), eV:	-10.31(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-2,6-dimethylpyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C#N)OC2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations