Geometry & MOs

Info

ID:	258267
PubChem CID:	103152417
Reduced:	NO4C16H17 (1)
Stoich.:	AB4C16D17 (1)
Weight, g/mol:	236.188863
ΔH_f, kcal/mol:	-138.87
Dipole, Da:	9.0
IP(EA), eV:	-9.46(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(3,5-dimethylphenyl)-2-methoxy-N'-methylbutane-1,4-diamine

Drug info:

PubChemData

Smile

COC(CC(=O)O)CNC(=O)C1=CC2=CC=CC=C2C=C1

DOS

IR

Vibrations