Geometry & MOs

Info

ID:	297377
PubChem CID:	117616475
Reduced:	N4O6C31H36 (1)
Stoich.:	A4B6C31D36 (1)
Weight, g/mol:	269.089937
ΔH_f, kcal/mol:	-205.43
Dipole, Da:	6.0
IP(EA), eV:	-8.23(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-methoxypropoxymethyl)-3-nitrobenzoic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NC3=CC(=C(C=C3)OC)NC(=O)CN4CCOCC4

DOS

IR

Vibrations