Geometry & MOs

Info

ID:	236885
PubChem CID:	92715427
Reduced:	NOC16H23 (1)
Stoich.:	ABC16D23 (1)
Weight, g/mol:	322.142976
ΔH_f, kcal/mol:	-51.37
Dipole, Da:	4.52
IP(EA), eV:	-8.99(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone

Drug info:

PubChemData

Smile

CC1=CC=CC=C1[C@H]2CCCN2C(=O)C(C)(C)C

DOS

IR

Vibrations