Geometry & MOs

Info

ID:	132372
PubChem CID:	51350596
Reduced:	OC11H16 (1)
Stoich.:	AB11C16 (1)
Weight, g/mol:	488.278741
ΔH_f, kcal/mol:	-6.08
Dipole, Da:	1.6
IP(EA), eV:	-9.85(0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[3-[(7,7-dimethyl-5-phenyl-5,6-dihydro-1H-pyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]pentan-3-yl]phenyl]methyl acetate

Drug info:

PubChemData

Smile

C[C@]12CC/C=C\C(=C)CC[C@@H]1O2

DOS

IR

Vibrations