Geometry & MOs

Info

ID:	205338
PubChem CID:	80088345
Reduced:	NOC14H29 (1)
Stoich.:	ABC14D29 (1)
Weight, g/mol:	286.05684
ΔH_f, kcal/mol:	-95.3
Dipole, Da:	2.12
IP(EA), eV:	-8.55(2.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(bromomethyl)-1-methoxy-2-pentan-3-yloxybenzene

Drug info:

PubChemData

Smile

CCC(CC)C(C(C)(C)N1CCCCC1)O

DOS

IR

Vibrations