Geometry & MOs

Info

ID:	364749
PubChem CID:	127316055
Reduced:	O2N5C21H33 (1)
Stoich.:	A2B5C21D33 (1)
Weight, g/mol:	368.207307
ΔH_f, kcal/mol:	-89.02
Dipole, Da:	8.41
IP(EA), eV:	-9.1(0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone

Drug info:

PubChemData

Smile

C1CCC(C1)C(=O)NC2CCC(CC2)C(=O)N3CCN(CC3)CC4=NC=CN4

DOS

IR

Vibrations