Geometry & MOs

Info

ID:	261390
PubChem CID:	103230307
Reduced:	NO2C9H15 (1)
Stoich.:	AB2C9D15 (1)
Weight, g/mol:	183.089543
ΔH_f, kcal/mol:	-60.64
Dipole, Da:	3.04
IP(EA), eV:	-9.32(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(propan-2-ylamino)methyl]furan-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(=CCNC1CC1)C(=O)OC

DOS

IR

Vibrations