Geometry & MOs

Info

ID:	353441
PubChem CID:	127285000
Reduced:	ClN2O3C20H29 (1)
Stoich.:	AB2C3D20E29 (1)
Weight, g/mol:	351.252192
ΔH_f, kcal/mol:	-140.73
Dipole, Da:	4.05
IP(EA), eV:	-8.79(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-propanoyl-N-[(4-pyrrolidin-1-yloxan-4-yl)methyl]piperidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OC(C)C(=O)NCC2(CCOCC2)N3CCCC3)Cl

DOS

IR

Vibrations