Geometry & MOs

Info

ID:	238673
PubChem CID:	92765021
Reduced:	ON3C9H15 (2)
Stoich.:	AB3C9D15 (2)
Weight, g/mol:	438.274324
ΔH_f, kcal/mol:	-60.21
Dipole, Da:	3.59
IP(EA), eV:	-8.48(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[3-(4-benzylpiperazin-1-yl)propyl]-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)propanamide

Drug info:

PubChemData

Smile

CCN1CCN(CC1)CCNC(=O)[C@@H](C)N2C(=O)CCN3C2=CC(=N3)C

DOS

IR

Vibrations