Geometry & MOs

Info

ID:	432281
PubChem CID:	135172414
Reduced:	ON9C20H29 (1)
Stoich.:	AB9C20D29 (1)
Weight, g/mol:	229.251798
ΔH_f, kcal/mol:	77.0
Dipole, Da:	2.21
IP(EA), eV:	-8.44(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N'-dimethyl-3-[2-(methylamino)ethyl]-3-propan-2-ylpentane-1,5-diamine

Drug info:

PubChemData

Smile

CCOC1=C(C=CC=N1)C2=NC3=C(C(=C2)NC/C(=N/N(C)N)/N)C(=NN3C)C(C)C

DOS

IR

Vibrations