Geometry & MOs

Info

ID:	182878
PubChem CID:	76948834
Reduced:	NO3C13H17 (1)
Stoich.:	AB3C13D17 (1)
Weight, g/mol:	301.112564
ΔH_f, kcal/mol:	-30.74
Dipole, Da:	3.73
IP(EA), eV:	-9.24(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(difluoromethoxy)-1-methoxy-4-(4-methyl-2-nitropent-1-enyl)benzene

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations