Geometry & MOs

Info

ID:	132179
PubChem CID:	51315747
Reduced:	N2O3C24H26 (1)
Stoich.:	A2B3C24D26 (1)
Weight, g/mol:	376.130218
ΔH_f, kcal/mol:	-60.71
Dipole, Da:	0.87
IP(EA), eV:	-8.6(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(2-chlorophenyl)-2-[4-(1-methylpyrazole-4-carbonyl)piperazin-1-yl]acetate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2CCCCCN2C(=O)CN3C(=C)C4=CC=CC=C4C3=O

DOS

IR

Vibrations