Geometry & MOs

Info

ID:	13930
PubChem CID:	400159
Reduced:	N5C18H25 (1)
Stoich.:	A5B18C25 (1)
Weight, g/mol:	311.210996
ΔH_f, kcal/mol:	74.29
Dipole, Da:	4.67
IP(EA), eV:	-8.08(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N',N'-diethyl-N-(4-methyl-3H-pyridazino[4,5-b]indol-1-yl)propane-1,3-diamine

Drug info:

PubChemData

Smile

CCN(CC)CCCNC1=NNC(=C2C1=C3C=CC=CC3=N2)C

DOS

IR

Vibrations