Geometry & MOs

Info

ID:	144590
PubChem CID:	53387435
Reduced:	ON6C12H16 (1)
Stoich.:	AB6C12D16 (1)
Weight, g/mol:	178.146999
ΔH_f, kcal/mol:	113.57
Dipole, Da:	5.37
IP(EA), eV:	-9.2(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-phenylpentane-1,5-diamine

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C(CCN=[N+]=[N-])CCN=[N+]=[N-]

DOS

IR

Vibrations