Geometry & MOs

Info

ID:	74429
PubChem CID:	48421861
Reduced:	SN3O4C20H23 (1)
Stoich.:	AB3C4D20E23 (1)
Weight, g/mol:	322.135114
ΔH_f, kcal/mol:	-118.87
Dipole, Da:	2.17
IP(EA), eV:	-9.33(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethoxy)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

COC(=O)NC(CC1=CC=CC=C1)C(=O)N2CCN(CC2)C(=O)C3=CC=CS3

DOS

IR

Vibrations