Geometry & MOs

Info

ID:	363724
PubChem CID:	127313342
Reduced:	O2N5C20H33 (1)
Stoich.:	A2B5C20D33 (1)
Weight, g/mol:	361.247775
ΔH_f, kcal/mol:	-67.66
Dipole, Da:	5.5
IP(EA), eV:	-8.78(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)C1=NN(C(=C1)C(=O)NCCN2CCN(CC2)C(=O)C3CCC3)C

DOS

IR

Vibrations