Geometry & MOs

Info

ID:	355264
PubChem CID:	127288196
Reduced:	O3N6C15H22 (1)
Stoich.:	A3B6C15D22 (1)
Weight, g/mol:	328.176007
ΔH_f, kcal/mol:	-101.42
Dipole, Da:	11.74
IP(EA), eV:	-9.75(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN=C(N1C)CNC(=O)CN2C(=O)C3(CCCCC3)NC2=O

DOS

IR

Vibrations