Geometry & MOs

Info

ID:	433273
PubChem CID:	135173410
Reduced:	N2O3C12H12 (1)
Stoich.:	A2B3C12D12 (1)
Weight, g/mol:	228.256549
ΔH_f, kcal/mol:	-27.89
Dipole, Da:	5.54
IP(EA), eV:	-8.02(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-N-butyl-3-N-methyl-2-(3-methylbutyl)butane-1,3-diamine

Drug info:

PubChemData

Smile

CNC1=C(C(=O)C1=O)NC2=CC=CC=C2OC

DOS

IR

Vibrations