Geometry & MOs

Info

ID:	327769
PubChem CID:	126691032
Reduced:	O5H22C30 (1)
Stoich.:	A5B22C30 (1)
Weight, g/mol:	502.04186
ΔH_f, kcal/mol:	-92.42
Dipole, Da:	2.66
IP(EA), eV:	-8.72(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-bis(2-bromoethyl)-4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-oxo-1,3,2lambda5-oxazaphosphinan-2-amine

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=CC(=C1)C2=CC(=CC3=CC4=CC=CC=C4C=C32)C(=O)OC)OC5=CC=CC=C5

DOS

IR

Vibrations