Geometry & MOs

Info

ID:	293929
PubChem CID:	117417042
Reduced:	NO4C14H19 (1)
Stoich.:	AB4C14D19 (1)
Weight, g/mol:	265.131408
ΔH_f, kcal/mol:	-133.26
Dipole, Da:	6.36
IP(EA), eV:	-9.02(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-2-(3,3,8-trimethyl-2,4-dihydro-1,5-benzodioxepin-7-yl)acetic acid

Drug info:

PubChemData

Smile

CCOC(=O)C(=O)C1=CC(=CC(=C1)CN(C)C)OC

DOS

IR

Vibrations