Geometry & MOs

Info

ID:	75069
PubChem CID:	48422943
Reduced:	SN3O4C21H27 (1)
Stoich.:	AB3C4D21E27 (1)
Weight, g/mol:	354.151034
ΔH_f, kcal/mol:	-123.19
Dipole, Da:	2.59
IP(EA), eV:	-9.08(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-2-(cyclopropylmethoxy)propan-1-one

Drug info:

PubChemData

Smile

COC(=O)NC(CC1=CC=CC=C1)C(=O)NCC(C2=CC=CS2)N3CCOCC3

DOS

IR

Vibrations