Geometry & MOs

Info

ID:	217042
PubChem CID:	85087155
Reduced:	O3N4C16H30 (1)
Stoich.:	A3B4C16D30 (1)
Weight, g/mol:	326.221895
ΔH_f, kcal/mol:	-144.18
Dipole, Da:	1.14
IP(EA), eV:	-9.32(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

N-[(2,9-dimethyl-4,14-diaza-2,9-diazoniatricyclo[8.4.0.03,8]tetradeca-1(10),2,4,6,8,11,13-heptaen-5-yl)methyl]-N',N'-dimethylpropane-1,3-diamine

Drug info:

PubChemData

Smile

CC=CC=CC(=O)NCC(CC(CC(=O)NCCCCN)N)O

DOS

IR

Vibrations