Geometry & MOs

Info

ID:	268519
PubChem CID:	103599742
Reduced:	ON5C24H33 (1)
Stoich.:	AB5C24D33 (1)
Weight, g/mol:	401.210327
ΔH_f, kcal/mol:	24.31
Dipole, Da:	2.73
IP(EA), eV:	-8.62(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CN(C)CCN1CCC(CC1)CNC(=O)C=CC2=CN(C3=CC=CC=C32)CCC#N

DOS

IR

Vibrations