Geometry & MOs

Info

ID:	76235
PubChem CID:	48424644
Reduced:	SO3N4C19H24 (1)
Stoich.:	AB3C4D19E24 (1)
Weight, g/mol:	309.151098
ΔH_f, kcal/mol:	-70.94
Dipole, Da:	2.03
IP(EA), eV:	-8.91(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(=O)NC(CC1=CC=CC=C1)C(=O)N2CCN(CC2)CC3=CSC=N3

DOS

IR

Vibrations