Geometry & MOs

Info

ID:	244030
PubChem CID:	99309420
Reduced:	SN3O5C24H27 (1)
Stoich.:	AB3C5D24E27 (1)
Weight, g/mol:	458.231791
ΔH_f, kcal/mol:	-120.26
Dipole, Da:	5.33
IP(EA), eV:	-9.08(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]-1-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CC(=O)N2CCC(CC2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)NCC#C

DOS

IR

Vibrations