Geometry & MOs

Info

ID:	346399
PubChem CID:	127270903
Reduced:	OSN5C19H27 (1)
Stoich.:	ABC5D19E27 (1)
Weight, g/mol:	397.193632
ΔH_f, kcal/mol:	3.1
Dipole, Da:	4.95
IP(EA), eV:	-8.4(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-(5-methyl-1H-indazol-7-yl)methanone

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC(=CS1)C(=O)NCC2=CC(=NC=C2)N3CCN(CC3)C

DOS

IR

Vibrations