Geometry & MOs

Info

ID:	205916
PubChem CID:	80176975
Reduced:	NO4C16H19 (1)
Stoich.:	AB4C16D19 (1)
Weight, g/mol:	289.131408
ΔH_f, kcal/mol:	-149.33
Dipole, Da:	4.33
IP(EA), eV:	-9.71(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[3-[[(2-methyloxolane-2-carbonyl)amino]methyl]phenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CC1(CCCO1)C(=O)NCC2=CC=C(C=C2)/C=C/C(=O)O

DOS

IR

Vibrations