Geometry & MOs

Info

ID:	442693
PubChem CID:	135255822
Reduced:	N3O4C13H21 (1)
Stoich.:	A3B4C13D21 (1)
Weight, g/mol:	244.262697
ΔH_f, kcal/mol:	-149.79
Dipole, Da:	2.76
IP(EA), eV:	-9.15(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-(aminomethyl)hexylamino]methyl]pentane-1,5-diamine

Drug info:

PubChemData

Smile

CCOC(=O)C(CCCN=C(N)N)C(=O)/C=C/C(=O)C

DOS

IR

Vibrations