Geometry & MOs

Info

ID:	135417
PubChem CID:	51869318
Reduced:	N2O2C13H16 (2)
Stoich.:	A2B2C13D16 (2)
Weight, g/mol:	255.110673
ΔH_f, kcal/mol:	-138.59
Dipole, Da:	6.77
IP(EA), eV:	-8.06(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3,4,5-trimethoxyphenyl)methylazaniumyl]acetate

Drug info:

PubChemData

Smile

C[C@]1(C(=O)N(C(=O)N1)CC(=O)NC2=CC=C(C=C2)N3CCOCC3)C4=CC=C(C=C4)C(C)(C)C

DOS

IR

Vibrations