Geometry & MOs

Info

ID:	375929
PubChem CID:	134221925
Reduced:	N2O5C32H36 (1)
Stoich.:	A2B5C32D36 (1)
Weight, g/mol:	256.00989
ΔH_f, kcal/mol:	-184.78
Dipole, Da:	6.5
IP(EA), eV:	-8.65(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-5-methoxy-2-methyl-4-prop-2-enoxybenzene

Drug info:

PubChemData

Smile

CC1=NC=C(C=C1)C(=O)N2CCC3=C2C=C(C(=C3C4=C(C5=C(C=C4)OCCC5)C)[C@@H](C(=O)O)OC(C)(C)C)C

DOS

IR

Vibrations