Geometry & MOs

Info

ID:	197498
PubChem CID:	78971214
Reduced:	N2O4C13H18 (1)
Stoich.:	A2B4C13D18 (1)
Weight, g/mol:	240.111007
ΔH_f, kcal/mol:	-152.61
Dipole, Da:	1.6
IP(EA), eV:	-9.36(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]propanoic acid

Drug info:

PubChemData

Smile

CC1=C(C=CO1)CN(C)C(=O)N2CCC[C@H]2C(=O)O

DOS

IR

Vibrations