Geometry & MOs

Info

ID:	124899
PubChem CID:	50901802
Reduced:	N2O10H20C21 (1)
Stoich.:	A2B10C20D21 (1)
Weight, g/mol:	246.040735
ΔH_f, kcal/mol:	-225.28
Dipole, Da:	11.13
IP(EA), eV:	-10.05(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(methylamino)-2-(4-nitrophenyl)acetic acid;hydrochloride

Drug info:

PubChemData

Smile

CC1(CC2=C(C(=O)C1)C(=C(C(O2)C(=O)OC)C(=O)OC)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])C

DOS

IR

Vibrations