Geometry & MOs

Info

ID:	361846
PubChem CID:	127304817
Reduced:	OSN6C20H26 (1)
Stoich.:	ABC6D20E26 (1)
Weight, g/mol:	361.193632
ΔH_f, kcal/mol:	41.72
Dipole, Da:	4.07
IP(EA), eV:	-9.01(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC=C(S1)CN2CCN(CC2)C(=O)C3=CN=C4C(=C3)C=NN4CC(C)C

DOS

IR

Vibrations