Geometry & MOs

Info

ID:	296301
PubChem CID:	117566947
Reduced:	ClN2C12H19 (1)
Stoich.:	AB2C12D19 (1)
Weight, g/mol:	208.157563
ΔH_f, kcal/mol:	-15.17
Dipole, Da:	3.63
IP(EA), eV:	-8.42(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N-(4-methoxyphenyl)-3-methylbutane-1,3-diamine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Cl)NCCC(C)(C)N

DOS

IR

Vibrations