Geometry & MOs

Info

ID:	197726
PubChem CID:	78989410
Reduced:	NO2C12H17 (1)
Stoich.:	AB2C12D17 (1)
Weight, g/mol:	254.235814
ΔH_f, kcal/mol:	-82.69
Dipole, Da:	2.5
IP(EA), eV:	-9.35(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-N-(3-methylbutyl)-1-(oxan-4-yl)ethane-1,2-diamine

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1[C@H](CC(=O)OC)N

DOS

IR

Vibrations