Geometry & MOs

Info

ID:	367490
PubChem CID:	127324822
Reduced:	O2N5C21H27 (1)
Stoich.:	A2B5C21D27 (1)
Weight, g/mol:	381.216475
ΔH_f, kcal/mol:	-19.55
Dipole, Da:	6.98
IP(EA), eV:	-8.99(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-4-[4-[(1-phenylpyrazol-4-yl)methyl]piperazine-1-carbonyl]piperidin-2-one

Drug info:

PubChemData

Smile

CC(=O)N1CCCC1C(=O)N2CCN(CC2)CC3=CN(N=C3)C4=CC=CC=C4

DOS

IR

Vibrations