Geometry & MOs

Info

ID:	147820
PubChem CID:	53787478
Reduced:	N2O2C27H32 (2)
Stoich.:	A2B2C27D32 (2)
Weight, g/mol:	252.16028
ΔH_f, kcal/mol:	-28.71
Dipole, Da:	6.16
IP(EA), eV:	-7.86(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-diethoxyphosphoryl-N-propylpropane-1,3-diamine

Drug info:

PubChemData

Smile

CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CCOC(=O)CCC2=C(C3=CC4=C(C(=C(N4)C=C5C(=C(C(=CC6=C(C(=C(N6)C=C2N3)CCC(=O)O)C)N5)C)C=C)C)C=C)C)C)C

DOS

IR

Vibrations