Geometry & MOs

Info

ID:	178353
PubChem CID:	76314253
Reduced:	NOBr3H12C13 (1)
Stoich.:	ABC3D12E13 (1)
Weight, g/mol:	420.394046
ΔH_f, kcal/mol:	-5.81
Dipole, Da:	4.42
IP(EA), eV:	-9.08(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[4-[[3-[[4-(4-aminobutylamino)butylamino]methyl]phenyl]methylamino]butyl]butane-1,4-diamine

Drug info:

PubChemData

Smile

CC(CN1C=C(C(=O)C2=CC=CC=C21)Br)(CBr)Br

DOS

IR

Vibrations