Geometry & MOs

Info

ID:	227016
PubChem CID:	87559653
Reduced:	O9N10C57H78 (1)
Stoich.:	A9B10C57D78 (1)
Weight, g/mol:	215.236148
ΔH_f, kcal/mol:	-308.16
Dipole, Da:	8.75
IP(EA), eV:	-8.7(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-pentyl-N'-[(pentylamino)methyl]methanediamine

Drug info:

PubChemData

Smile

CC(=O)C1(CCN(CC1)C(=O)C(CC2=CC=C(C=C2)OC)N(C(=O)NCCC3=CN=CN3)OC(=O)C4(CCN(CC4)C(=O)C(CC5=CC=C(C=C5)OC)NC(=O)NCCC6=CN=CN6)C7CCCCC7)C8CCCCC8

DOS

IR

Vibrations