Geometry & MOs

Info

ID:	129269
PubChem CID:	51072127
Reduced:	ClN3O5C26H28 (1)
Stoich.:	AB3C5D26E28 (1)
Weight, g/mol:	223.087625
ΔH_f, kcal/mol:	-112.06
Dipole, Da:	4.97
IP(EA), eV:	-8.57(-2.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N,2-N-dimethylquinoline-2,4-diamine;hydrochloride

Drug info:

PubChemData

Smile

CCCCNC1=C2C(=NC3=CC=CC=C31)CC(CC2=O)(C)C.C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)Cl

DOS

IR

Vibrations