Geometry & MOs

Info

ID:	292552
PubChem CID:	116933579
Reduced:	NC7H12 (2)
Stoich.:	AB7C12 (2)
Weight, g/mol:	236.188863
ΔH_f, kcal/mol:	-19.76
Dipole, Da:	1.51
IP(EA), eV:	-8.73(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1C)C(CC(C)(C)N)N)C

DOS

IR

Vibrations