Geometry & MOs

Info

ID:	213169
PubChem CID:	81063113
Reduced:	NO4C16H21 (1)
Stoich.:	AB4C16D21 (1)
Weight, g/mol:	296.173607
ΔH_f, kcal/mol:	-154.32
Dipole, Da:	4.63
IP(EA), eV:	-8.94(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[5-(diethylaminomethyl)furan-2-carbonyl]amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1/C=C/C(=O)NCC(C)CC(=O)O

DOS

IR

Vibrations