Geometry & MOs

Info

ID:	363746
PubChem CID:	127313384
Reduced:	ClO2N3C21H28 (1)
Stoich.:	AB2C3D21E28 (1)
Weight, g/mol:	389.188546
ΔH_f, kcal/mol:	-56.72
Dipole, Da:	4.54
IP(EA), eV:	-8.76(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-1,3-dimethylthieno[2,3-c]pyrazole-5-carboxamide

Drug info:

PubChemData

Smile

C1CC(C1)C(=O)N2CCN(CC2)CCNC(=O)C3(CC3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations