Geometry & MOs

Info

ID:	363796
PubChem CID:	127313443
Reduced:	O2N3C23H33 (1)
Stoich.:	A2B3C23D33 (1)
Weight, g/mol:	361.247775
ΔH_f, kcal/mol:	-82.73
Dipole, Da:	6.07
IP(EA), eV:	-8.62(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(CCCC2=CC=CC=C21)C(=O)NCCN3CCN(CC3)C(=O)C4CCC4

DOS

IR

Vibrations