Geometry & MOs

Info

ID:	38428
PubChem CID:	8049081
Reduced:	FON2C17H17 (1)
Stoich.:	ABC2D17E17 (1)
Weight, g/mol:	395.172417
ΔH_f, kcal/mol:	3.75
Dipole, Da:	3.87
IP(EA), eV:	-9.08(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-chloro-1-methylpyrazol-3-yl)methyl]-N-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-1,3,5-trimethylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

C1[C@H](ON=C1C2=CC=CC=C2)CNCC3=CC(=CC=C3)F

DOS

IR

Vibrations