Geometry & MOs

Info

ID:	290004
PubChem CID:	104397217
Reduced:	NC9H18 (2)
Stoich.:	AB9C18 (2)
Weight, g/mol:	228.220164
ΔH_f, kcal/mol:	-61.06
Dipole, Da:	0.81
IP(EA), eV:	-8.83(2.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N-(2-methylpropyl)-2-N-(oxan-4-ylmethyl)propane-1,2-diamine

Drug info:

PubChemData

Smile

CC(C)CNCC(C)NCC1CCC2CCCCC2C1

DOS

IR

Vibrations