Geometry & MOs

Info

ID:	294415
PubChem CID:	117460019
Reduced:	NC20H31 (1)
Stoich.:	AB20C31 (1)
Weight, g/mol:	285.0404
ΔH_f, kcal/mol:	-26.03
Dipole, Da:	1.33
IP(EA), eV:	-8.81(0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-3-(6-chloro-5-formyl-2,3-dihydro-1,4-benzodioxin-8-yl)propanoic acid

Drug info:

PubChemData

Smile

CC1(CCC(CC1)C2=CC=CC(=C2)CC3CCNCC3)C

DOS

IR

Vibrations