Geometry & MOs

Info

ID:	307282
PubChem CID:	125299336
Reduced:	N2O2C19H22 (1)
Stoich.:	A2B2C19D22 (1)
Weight, g/mol:	339.194677
ΔH_f, kcal/mol:	11.51
Dipole, Da:	2.95
IP(EA), eV:	-8.3(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S)-3-(4-methoxyphenyl)-2,5-dimethyl-6-(3-methylbutyl)-6H-pyrazolo[1,5-a]pyrimidin-7-one

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CNCCC2=C3C=CC=CC3=NC2)OC

DOS

IR

Vibrations