Geometry & MOs

Info

ID:	223642
PubChem CID:	85335354
Reduced:	O2N3C30H35 (1)
Stoich.:	A2B3C30D35 (1)
Weight, g/mol:	469.483195
ΔH_f, kcal/mol:	-38.55
Dipole, Da:	4.5
IP(EA), eV:	-8.69(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N'-bis[4-[4-(ethylamino)butylamino]butyl]-2-(methylaminomethyl)but-2-ene-1,4-diamine

Drug info:

PubChemData

Smile

C1CC(C1)NC(=O)C2CCCN(C2)C3CCN(CC3)C(=O)C4=C5C=CC=CC5=CC6=CC=CC=C64

DOS

IR

Vibrations