Geometry & MOs

Info

ID:	391372
PubChem CID:	135004538
Reduced:	N3O4H31C37 (1)
Stoich.:	A3B4C31D37 (1)
Weight, g/mol:	308.10785
ΔH_f, kcal/mol:	-5.14
Dipole, Da:	4.89
IP(EA), eV:	-8.81(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(diphenylphosphorylamino)-2-methylidenepent-4-enenitrile

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C1=CC([C@]2([C@@H]1C3=CC4=CC=CC=C4C=C3)C5=CC=CC=C5N(C2=O)CC6=CC=C(C=C6)OC)(C#N)C#N

DOS

IR

Vibrations