Geometry & MOs

Info

ID:	353439
PubChem CID:	127284998
Reduced:	ClN2O3C20H29 (1)
Stoich.:	AB2C3D20E29 (1)
Weight, g/mol:	351.252192
ΔH_f, kcal/mol:	-139.41
Dipole, Da:	2.87
IP(EA), eV:	-8.74(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-propanoyl-N-[(4-pyrrolidin-1-yloxan-4-yl)methyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations