Geometry & MOs

Info

ID:	120736
PubChem CID:	50742541
Reduced:	N3C15H25 (1)
Stoich.:	A3B15C25 (1)
Weight, g/mol:	444.146741
ΔH_f, kcal/mol:	8.14
Dipole, Da:	2.02
IP(EA), eV:	-8.48(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N2CCN(CC2)CCCN)C

DOS

IR

Vibrations