Geometry & MOs

Info

ID:	59071
PubChem CID:	24770743
Reduced:	O5C28H36 (1)
Stoich.:	A5B28C36 (1)
Weight, g/mol:	414.090007
ΔH_f, kcal/mol:	-159.41
Dipole, Da:	5.74
IP(EA), eV:	-8.64(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chlorophenyl)-N-diphenylphosphoryl-1-nitropropan-2-amine

Drug info:

PubChemData

Smile

C[C@@H]1[C@H]2[C@@]([C@@](C1=O)(C(=O)O2)C)(C)/C=C/C=C/C=C/C=C/C=C(\C)/[C@H]3C(=C[C@@]([C@H](O3)C)(C)O)C

DOS

IR

Vibrations