Geometry & MOs

Info

ID:	238662
PubChem CID:	92764996
Reduced:	SO2N4C22H28 (1)
Stoich.:	AB2C4D22E28 (1)
Weight, g/mol:	438.31071
ΔH_f, kcal/mol:	-30.43
Dipole, Da:	4.25
IP(EA), eV:	-8.56(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7S)-N-[3-(4-cyclohexylpiperazin-1-yl)propyl]-7-methyl-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)CCNC(=O)C[C@H](C2=CC=CS2)N3CC4=CC=CC=C4C3=O

DOS

IR

Vibrations