Geometry & MOs

Info

ID:	427424
PubChem CID:	135158860
Reduced:	OPN6C23H29 (1)
Stoich.:	ABC6D23E29 (1)
Weight, g/mol:	244.17045
ΔH_f, kcal/mol:	62.7
Dipole, Da:	2.8
IP(EA), eV:	-7.79(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(3-aminopropylamino)-methylphosphanyl]methyl]hept-6-en-2-one

Drug info:

PubChemData

Smile

CC1=CN2C(=CC(=N2)C3=CC(=O)N4C=C(C=CC4P3)N5CCC(CC5)N(C)C)C(=N1)C

DOS

IR

Vibrations