Geometry & MOs

Info

ID:	305820
PubChem CID:	124970719
Reduced:	ON2C10H13 (2)
Stoich.:	AB2C10D13 (2)
Weight, g/mol:	287.17461
ΔH_f, kcal/mol:	-37.67
Dipole, Da:	2.61
IP(EA), eV:	-8.53(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S)-3-[4-(dimethylamino)pyrazolo[1,5-a]pyrazin-6-yl]pyrrolidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CCOC1=C(C=CC=N1)C(=O)N2CCC[C@@H](C2)C3=CC(=NC=C3)N(C)C

DOS

IR

Vibrations