Geometry & MOs

Info

ID:	165520
PubChem CID:	74560758
Reduced:	N2O5C28H34 (1)
Stoich.:	A2B5C28D34 (1)
Weight, g/mol:	394.145293
ΔH_f, kcal/mol:	-122.22
Dipole, Da:	19.7
IP(EA), eV:	-7.99(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-[[3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropyl]amino]propyl-dimethylazanium

Drug info:

PubChemData

Smile

CCOC1=CC(=C(C=C1)C(=C2C(N(C(=O)C2=O)CCC[NH+](C)C)C3=CC=C(C=C3)OCC=C)[O-])C

DOS

IR

Vibrations