Geometry & MOs

Info

ID:	278755
PubChem CID:	103837757
Reduced:	N3O3C13H21 (1)
Stoich.:	A3B3C13D21 (1)
Weight, g/mol:	234.148061
ΔH_f, kcal/mol:	-54.29
Dipole, Da:	6.15
IP(EA), eV:	-8.62(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]pyridine-2-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NCC(C)(CN(C)C)O)[N+](=O)[O-]

DOS

IR

Vibrations