Geometry & MOs

Info

ID:	130374
PubChem CID:	51075758
Reduced:	NSO3C14H19 (1)
Stoich.:	ABC3D14E19 (1)
Weight, g/mol:	243.137162
ΔH_f, kcal/mol:	-119.36
Dipole, Da:	5.45
IP(EA), eV:	-9.45(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-N,1,5-trimethylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CCC1CCCCN1C(=O)C2=CC=C(S2)C(=O)OC

DOS

IR

Vibrations