Geometry & MOs

Info

ID:	420583
PubChem CID:	135114090
Reduced:	OSN5C15H19 (1)
Stoich.:	ABC5D15E19 (1)
Weight, g/mol:	247.14331
ΔH_f, kcal/mol:	15.44
Dipole, Da:	5.21
IP(EA), eV:	-8.48(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,5-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CSC1=NC(=CC(=N1)N2C[C@H]([C@@H](C2)O)CC3=CC=CC=N3)N

DOS

IR

Vibrations