Geometry & MOs

Info

ID:	261703
PubChem CID:	103246548
Reduced:	NOC6H12 (2)
Stoich.:	ABC6D12 (2)
Weight, g/mol:	254.163043
ΔH_f, kcal/mol:	-83.45
Dipole, Da:	2.15
IP(EA), eV:	-8.57(0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-(dimethylamino)butan-2-ylamino]methyl]-5-methylfuran-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(CCN(C)C)NC(C1CC1)C(=O)OC

DOS

IR

Vibrations