Geometry & MOs

Info

ID:	69737
PubChem CID:	47205305
Reduced:	O2N3C14H15 (1)
Stoich.:	A2B3C14D15 (1)
Weight, g/mol:	231.11201
ΔH_f, kcal/mol:	-2.52
Dipole, Da:	7.66
IP(EA), eV:	-9.54(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-cyclopropyl-N-(1H-pyrazol-5-ylmethyl)-1H-pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C=CCOC1=CC=CC=C1C(=O)NCC2=CC=NN2

DOS

IR

Vibrations