Geometry & MOs

Info

ID:	182866
PubChem CID:	76947285
Reduced:	O2N3C16H17 (1)
Stoich.:	A2B3C16D17 (1)
Weight, g/mol:	276.147393
ΔH_f, kcal/mol:	-18.91
Dipole, Da:	3.41
IP(EA), eV:	-8.84(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[4-[2-(methylamino)propanoylamino]phenyl]prop-2-enoate

Drug info:

PubChemData

Smile

CCC(C1=CC=CO1)N=C(C)C2=CC3=C(C=C2)NC(=O)N3

DOS

IR

Vibrations