Geometry & MOs

Info

ID:	30349
PubChem CID:	841177
Reduced:	O2N3C17H17 (1)
Stoich.:	A2B3C17D17 (1)
Weight, g/mol:	260.079707
ΔH_f, kcal/mol:	-6.4
Dipole, Da:	3.15
IP(EA), eV:	-9.5(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-dimethyl-N-(3-nitrophenyl)furan-3-carboxamide

Drug info:

PubChemData

Smile

CCC1=NN([C@@](C1)(C2=CN=CC=C2)O)C(=O)C3=CC=CC=C3

DOS

IR

Vibrations