Geometry & MOs

Info

ID:	440742
PubChem CID:	135231259
Reduced:	ON2C11H11 (2)
Stoich.:	AB2C11D11 (2)
Weight, g/mol:	263.126991
ΔH_f, kcal/mol:	-13.0
Dipole, Da:	5.56
IP(EA), eV:	-9.17(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-(2-aminoprop-2-enylcarbamoylamino)benzoate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CNC(=O)C2=CC=C(C=C2)NC(=O)NCC3=CC=NC=C3

DOS

IR

Vibrations