Geometry & MOs

Info

ID:	205915
PubChem CID:	80176929
Reduced:	ON2C11H24 (1)
Stoich.:	AB2C11D24 (1)
Weight, g/mol:	289.131408
ΔH_f, kcal/mol:	-74.13
Dipole, Da:	2.16
IP(EA), eV:	-8.68(2.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[4-[[(2-methyloxolane-2-carbonyl)amino]methyl]phenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CC1(CCCO1)CNCC(C)(C)NC

DOS

IR

Vibrations