Geometry & MOs

Info

ID:	194761
PubChem CID:	78587789
Reduced:	ON6C22H23 (1)
Stoich.:	AB6C22D23 (1)
Weight, g/mol:	341.137556
ΔH_f, kcal/mol:	91.53
Dipole, Da:	9.09
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.905810
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]oxy-N-phenylbenzamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CC(C#N)C2=C(C(=[NH+]C(=C2C#N)N3CCCCC3)N)C#N

DOS

IR

Vibrations