Geometry & MOs

Info

ID:	253330
PubChem CID:	103117754
Reduced:	ON5C15H17 (1)
Stoich.:	AB5C15D17 (1)
Weight, g/mol:	192.101111
ΔH_f, kcal/mol:	48.01
Dipole, Da:	5.59
IP(EA), eV:	-9.74(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cyanoethyl)-N,1-dimethylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C1CCCC(CC1)(C#N)NC(=O)C2=C3C=NC=CN3N=C2

DOS

IR

Vibrations