Geometry & MOs

Info

ID:	355586
PubChem CID:	127289344
Reduced:	O2N5C19H31 (1)
Stoich.:	A2B5C19D31 (1)
Weight, g/mol:	302.185509
ΔH_f, kcal/mol:	-82.96
Dipole, Da:	6.23
IP(EA), eV:	-8.92(0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-2-(1-methylpyrazol-4-yl)ethanone

Drug info:

PubChemData

Smile

CN1C=CN=C1CN2CCN(CC2)C(=O)CCNC(=O)C3CCCCC3

DOS

IR

Vibrations