Geometry & MOs

Info

ID:	130073
PubChem CID:	51074839
Reduced:	O3N5C15H19 (1)
Stoich.:	A3B5C15D19 (1)
Weight, g/mol:	289.132746
ΔH_f, kcal/mol:	-51.08
Dipole, Da:	9.15
IP(EA), eV:	-9.56(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CN1C(=C(C(=O)N(C1=O)C)C#N)NCC(C2=CC=CO2)N(C)C

DOS

IR

Vibrations