Geometry & MOs

Info

ID:	351484
PubChem CID:	127280372
Reduced:	SO2N6C18H22 (1)
Stoich.:	AB2C6D18E22 (1)
Weight, g/mol:	371.220892
ΔH_f, kcal/mol:	2.98
Dipole, Da:	6.28
IP(EA), eV:	-9.21(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[2-(cyclopropylmethoxy)benzoyl]piperazin-1-yl]-2-pyrrolidin-1-ylethanone

Drug info:

PubChemData

Smile

C1CCN(C1)CC(=O)N2CCN(CC2)C(=O)C3=CN=C(S3)C4=NC=CC=N4

DOS

IR

Vibrations