Geometry & MOs

Info

ID:	138383
PubChem CID:	52357840
Reduced:	N2O2C17H25 (1)
Stoich.:	A2B2C17D25 (1)
Weight, g/mol:	288.183778
ΔH_f, kcal/mol:	-34.54
Dipole, Da:	4.76
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.940977
Charge, e:	0

Chem-info

IUPAC name:

2-[benzyl-[[(2S)-oxolan-2-yl]methyl]amino]-N-prop-2-enylacetamide

Drug info:

PubChemData

Smile

C=CCNC(=O)C[NH+](C[C@@H]1CCCO1)CC2=CC=CC=C2

DOS

IR

Vibrations