Geometry & MOs

Info

ID:	212416
PubChem CID:	81060479
Reduced:	SN3C14H19 (1)
Stoich.:	AB3C14D19 (1)
Weight, g/mol:	238.121846
ΔH_f, kcal/mol:	17.82
Dipole, Da:	5.55
IP(EA), eV:	-8.93(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-cyclopropylpyrazol-1-yl)-2,6-dimethylpyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C#N)NCC2(CCCS2)C

DOS

IR

Vibrations