Geometry & MOs

Info

ID:	367676
PubChem CID:	127325384
Reduced:	O2N7C20H29 (1)
Stoich.:	A2B7C20D29 (1)
Weight, g/mol:	385.16848
ΔH_f, kcal/mol:	-17.3
Dipole, Da:	7.56
IP(EA), eV:	-9.06(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-[4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone

Drug info:

PubChemData

Smile

CN1C=CN=C1CN2CCN(CC2)C(=O)C3CCC(=O)N(C3C4=CN(N=C4)C)C

DOS

IR

Vibrations