Geometry & MOs

Info

ID:	257371
PubChem CID:	103145598
Reduced:	N2O3C15H18 (1)
Stoich.:	A2B3C15D18 (1)
Weight, g/mol:	274.131742
ΔH_f, kcal/mol:	-16.8
Dipole, Da:	5.24
IP(EA), eV:	-9.21(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[5-(2,5-dimethyl-4-nitrophenyl)furan-2-yl]methyl]ethanamine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1[N+](=O)[O-])C)C2=CC=C(O2)C(C)NC

DOS

IR

Vibrations