Geometry & MOs

Info

ID:	256661
PubChem CID:	103140487
Reduced:	N3O4C14H15 (1)
Stoich.:	A3B4C14D15 (1)
Weight, g/mol:	289.106256
ΔH_f, kcal/mol:	-57.25
Dipole, Da:	10.66
IP(EA), eV:	-9.09(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethyl-3-[(5-nitroisoquinolin-8-yl)amino]propanoic acid

Drug info:

PubChemData

Smile

CC(CCNC1=C2C=NC=CC2=C(C=C1)[N+](=O)[O-])C(=O)O

DOS

IR

Vibrations