Geometry & MOs

Info

ID:

387427

PubChem CID:

134985339

Reduced:

NPO9C32H35 (1)

Stoich.:

ABC9D32E35 (1)

Weight, g/mol:

385.90885

ΔHf, kcal/mol:

-336.18

Dipole, Da:

10.88

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.754468

Charge, e:

 0

Chem-info

IUPAC name:

N-[bis(4-bromophenyl)methyl]nitramide

Drug info:

PubChemData

Smile

CC(=O)OC[C@H]([C@H]([C@@H]([C@H](/C=N\[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)OC(=O)C)OC(=O)C)OC(=O)C)O

DOS

IR

Vibrations