Geometry & MOs

Info

ID:	134617
PubChem CID:	51727029
Reduced:	N3O4C20H32 (1)
Stoich.:	A3B4C20D32 (1)
Weight, g/mol:	315.183444
ΔH_f, kcal/mol:	-157.85
Dipole, Da:	3.33
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.771403
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S)-cyclopent-2-en-1-yl]-N-[[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]methyl]acetamide

Drug info:

PubChemData

Smile

CCCCNC(=O)NC(=O)C[NH+](C[C@H]1CCCO1)CC2=CC=CC=C2OC

DOS

IR

Vibrations