Geometry & MOs

Info

ID:	362845
PubChem CID:	127309674
Reduced:	ClN3O3C19H28 (1)
Stoich.:	AB3C3D19E28 (1)
Weight, g/mol:	388.247441
ΔH_f, kcal/mol:	-117.11
Dipole, Da:	5.32
IP(EA), eV:	-8.9(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-4-(4-methylbenzoyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

COCCN1CCCC1CNC(=O)N2CCOC(C2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations