Geometry & MOs

Info

ID:	84089
PubChem CID:	49864087
Reduced:	N2C7H8 (3)
Stoich.:	A2B7C8 (3)
Weight, g/mol:	352.117155
ΔH_f, kcal/mol:	117.35
Dipole, Da:	11.08
IP(EA), eV:	-8.51(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[4-[(4-cyano-3-methoxyphenyl)carbamoylamino]phenyl]-N-hydroxyprop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(C2=NC(=NN2C(=C1C3=CC=CC=C3)N4CC[C@@H](C4)N(C)C)C)C#N

DOS

IR

Vibrations