Geometry & MOs

Info

ID:	75810
PubChem CID:	48424011
Reduced:	O4N5C16H19 (1)
Stoich.:	A4B5C16D19 (1)
Weight, g/mol:	365.213698
ΔH_f, kcal/mol:	-110.0
Dipole, Da:	4.94
IP(EA), eV:	-8.87(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-2-(cyclopropylmethoxy)propan-1-one

Drug info:

PubChemData

Smile

COC(=O)NC(CC1=CC=CC=C1)C(=O)NC2=CN(N=C2)CC(=O)N

DOS

IR

Vibrations