Geometry & MOs

Info

ID:	292560
PubChem CID:	116933589
Reduced:	O2N3C14H21 (1)
Stoich.:	A2B3C14D21 (1)
Weight, g/mol:	234.209599
ΔH_f, kcal/mol:	-76.41
Dipole, Da:	3.7
IP(EA), eV:	-8.71(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-1-(2-methyl-5-propan-2-ylphenyl)butane-1,3-diamine

Drug info:

PubChemData

Smile

CC1C(=O)NC2=C(O1)C=CC(=C2)C(CC(C)(C)N)N

DOS

IR

Vibrations