Geometry & MOs

Info

ID:	182883
PubChem CID:	76949363
Reduced:	NO3C15H21 (1)
Stoich.:	AB3C15D21 (1)
Weight, g/mol:	293.162708
ΔH_f, kcal/mol:	-46.58
Dipole, Da:	4.61
IP(EA), eV:	-9.31(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-4-(4-methyl-2-nitropent-1-enyl)-1-propoxybenzene

Drug info:

PubChemData

Smile

CC(C)CC(=CC1=CC=CC=C1OC(C)C)[N+](=O)[O-]

DOS

IR

Vibrations