Geometry & MOs

Info

ID:	183755
PubChem CID:	77064415
Reduced:	SN4C11H16 (1)
Stoich.:	AB4C11D16 (1)
Weight, g/mol:	275.115758
ΔH_f, kcal/mol:	59.93
Dipole, Da:	4.81
IP(EA), eV:	-8.8(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-methyl-3-(morpholine-4-carbonyl)phenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

C1CC1C2=NSC(=N2)N3CCC4C3CNC4

DOS

IR

Vibrations