Geometry & MOs

Info

ID:	75944
PubChem CID:	48424197
Reduced:	FN2O3C20H29 (1)
Stoich.:	AB2C3D20E29 (1)
Weight, g/mol:	339.134969
ΔH_f, kcal/mol:	-149.13
Dipole, Da:	1.57
IP(EA), eV:	-8.8(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(4-chloro-1H-pyrrole-2-carbonyl)piperazin-1-yl]-2-(cyclopropylmethoxy)propan-1-one

Drug info:

PubChemData

Smile

CC(C(=O)NC1CCN(CC1)CC2=CC(=C(C=C2)OC)F)OCC3CC3

DOS

IR

Vibrations