Geometry & MOs

Info

ID:	292551
PubChem CID:	116669170
Reduced:	OSN5C14H19 (1)
Stoich.:	ABC5D14E19 (1)
Weight, g/mol:	220.193949
ΔH_f, kcal/mol:	-3.69
Dipole, Da:	6.68
IP(EA), eV:	-8.42(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-1-(2,4,5-trimethylphenyl)butane-1,3-diamine

Drug info:

PubChemData

Smile

CC(C)CNC1=NC(=C(S1)C(=O)NCC2=CC=NC=C2)N

DOS

IR

Vibrations