Geometry & MOs

Info

ID:	342100
PubChem CID:	127264813
Reduced:	N2O3C16H20 (1)
Stoich.:	A2B3C16D20 (1)
Weight, g/mol:	265.131408
ΔH_f, kcal/mol:	-106.42
Dipole, Da:	5.7
IP(EA), eV:	-10.12(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-2-[[3-(furan-2-yl)prop-2-enoylamino]methyl]butanoic acid

Drug info:

PubChemData

Smile

CC1CCC(CC1)(C(=O)O)NC(=O)C=CC2=CC=NC=C2

DOS

IR

Vibrations