Geometry & MOs

Info

ID:	312769
PubChem CID:	126608446
Reduced:	P2N4O5C15H34 (1)
Stoich.:	A2B4C5D15E34 (1)
Weight, g/mol:	370.316858
ΔH_f, kcal/mol:	-314.21
Dipole, Da:	5.53
IP(EA), eV:	-8.23(1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(8-amino-3,6,10,13,16,19-hexazabicyclo[6.6.6]icosan-1-yl)amino]propan-2-one

Drug info:

PubChemData

Smile

CP(=O)(CN1CCCN2CCN(CCCN(CC2)CP(=O)(O)O)CC1)O

DOS

IR

Vibrations