Geometry & MOs

Info

ID:	315467
PubChem CID:	126626892
Reduced:	N4C33H42 (1)
Stoich.:	A4B33C42 (1)
Weight, g/mol:	336.227374
ΔH_f, kcal/mol:	60.86
Dipole, Da:	8.58
IP(EA), eV:	-8.38(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-6-amino-1-[[(aminomethylamino)methylamino]methylamino]-1-oxohexan-2-yl]benzamide

Drug info:

PubChemData

Smile

CCCN(CCC)C1CCN(CC1)C2=CC3=C(C=C2CC)C(=C)C4=C(C3(C)C)NC5=C4C=CC(=C5)C#N

DOS

IR

Vibrations