Geometry & MOs

Info

ID:	196792
PubChem CID:	78879445
Reduced:	FO2N5C20H24 (1)
Stoich.:	AB2C5D20E24 (1)
Weight, g/mol:	376.176007
ΔH_f, kcal/mol:	-49.68
Dipole, Da:	2.12
IP(EA), eV:	-8.78(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-pyrazol-1-ylpyridin-4-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)C2=NNC(=C2)C(=O)NCCCCOC3=CC=C(C=C3)F

DOS

IR

Vibrations