Geometry & MOs

Info

ID:	342385
PubChem CID:	127265208
Reduced:	O2N3C10H15 (1)
Stoich.:	A2B3C10D15 (1)
Weight, g/mol:	334.152872
ΔH_f, kcal/mol:	-29.4
Dipole, Da:	5.63
IP(EA), eV:	-10.22(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[4-[2-(2-carbamoylmorpholin-4-yl)ethoxy]phenyl]prop-2-enoate

Drug info:

PubChemData

Smile

CCC=CCCN1C=NC(=N1)C(=O)OC

DOS

IR

Vibrations