Geometry & MOs

Info

ID:	237424
PubChem CID:	92719151
Reduced:	N3O3C17H23 (1)
Stoich.:	A3B3C17D23 (1)
Weight, g/mol:	410.187339
ΔH_f, kcal/mol:	-106.87
Dipole, Da:	4.52
IP(EA), eV:	-8.67(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(5-chloro-3-phenylindazol-1-yl)-1-(4-propylpiperazin-1-yl)propan-1-one

Drug info:

PubChemData

Smile

C1COCCN1CCNC(=O)[C@H]2CC(=O)N(C2)C3=CC=CC=C3

DOS

IR

Vibrations