Geometry & MOs

Info

ID:	85719
PubChem CID:	49878475
Reduced:	NO3C16H25 (1)
Stoich.:	AB3C16D25 (1)
Weight, g/mol:	341.137556
ΔH_f, kcal/mol:	-150.25
Dipole, Da:	5.53
IP(EA), eV:	-9.69(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(3-methoxyphenyl)-4,5-dimethyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid

Drug info:

PubChemData

Smile

CCCCN(C)C(=O)C1=C(C(=O)OC12CCCCC2)C

DOS

IR

Vibrations