Geometry & MOs

Info

ID:	165169
PubChem CID:	74510440
Reduced:	NO3C10H11 (2)
Stoich.:	AB3C10D11 (2)
Weight, g/mol:	334.152872
ΔH_f, kcal/mol:	-155.23
Dipole, Da:	5.95
IP(EA), eV:	-8.55(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(butylcarbamoylamino)-2-oxoethyl] 3-(3-methoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)C=CC(=O)NNC(=O)C2=CC(=C(C=C2)OC)OC)OC

DOS

IR

Vibrations