Geometry & MOs

Info

ID:	363723
PubChem CID:	127313341
Reduced:	ClO2N5C18H28 (1)
Stoich.:	AB2C5D18E28 (1)
Weight, g/mol:	375.263425
ΔH_f, kcal/mol:	-67.14
Dipole, Da:	4.01
IP(EA), eV:	-8.78(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-tert-butyl-N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-2-methylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1CC(=O)NCCN2CCN(CC2)C(=O)C3CCC3)C)Cl

DOS

IR

Vibrations