Geometry & MOs

Info

ID:	426134
PubChem CID:	135141048
Reduced:	NO2C16H25 (1)
Stoich.:	AB2C16D25 (1)
Weight, g/mol:	291.231063
ΔH_f, kcal/mol:	-79.26
Dipole, Da:	2.57
IP(EA), eV:	-9.41(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[4-(aminomethyl)oxan-4-yl]-N-benzyl-N,N'-dimethylethane-1,2-diamine

Drug info:

PubChemData

Smile

C1COCCC1(CCCOCC2=CC=CC=C2)CN

DOS

IR

Vibrations