Geometry & MOs

Info

ID:	179179
PubChem CID:	76446401
Reduced:	SN4O5H24C25 (1)
Stoich.:	AB4C5D24E25 (1)
Weight, g/mol:	438.263091
ΔH_f, kcal/mol:	-84.91
Dipole, Da:	11.12
IP(EA), eV:	-9.02(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-acetylpiperidin-4-yl)-6,6-dimethyl-3-(1-pent-4-ynoylpyrrolidin-2-yl)-5,7-dihydroindazol-4-one

Drug info:

PubChemData

Smile

CN(C1=CC=CC=C1C2=CC3=C(C=C2)C(=O)N=C4C=CC(=CC4=N3)NC(=O)CCOC)S(=O)(=O)C

DOS

IR

Vibrations