Geometry & MOs

Info

ID:	199352
PubChem CID:	79232708
Reduced:	N3O5C13H13 (1)
Stoich.:	A3B5C13D13 (1)
Weight, g/mol:	291.231063
ΔH_f, kcal/mol:	-60.19
Dipole, Da:	9.54
IP(EA), eV:	-9.51(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[1-(aminomethyl)-7-methoxy-3,4-dihydro-2H-naphthalen-1-yl]-N,N,N'-trimethylethane-1,2-diamine

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)CNC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)O

DOS

IR

Vibrations