Geometry & MOs

Info

ID:	212736
PubChem CID:	81061671
Reduced:	NO3C16H23 (1)
Stoich.:	AB3C16D23 (1)
Weight, g/mol:	274.189257
ΔH_f, kcal/mol:	-110.36
Dipole, Da:	6.61
IP(EA), eV:	-8.73(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[ethyl-[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]butanoic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)/C=C/C(=O)O)N(C)CCOC(C)C

DOS

IR

Vibrations