Geometry & MOs

Info

ID:	76122
PubChem CID:	48424469
Reduced:	N3O3C20H29 (1)
Stoich.:	A3B3C20D29 (1)
Weight, g/mol:	256.178693
ΔH_f, kcal/mol:	-97.42
Dipole, Da:	6.48
IP(EA), eV:	-8.71(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethoxy)-N-[3-oxo-3-(propylamino)propyl]propanamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=C(C=C1)CC(=O)N2CCN(CC2)C)OCC3CC3

DOS

IR

Vibrations