Geometry & MOs

Info

ID:	245971
PubChem CID:	103032229
Reduced:	NO2C14H25 (1)
Stoich.:	AB2C14D25 (1)
Weight, g/mol:	329.09904
ΔH_f, kcal/mol:	-108.09
Dipole, Da:	1.92
IP(EA), eV:	-8.56(0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-bromo-4-(3-methoxy-3-methylbutoxy)phenyl]methyl]ethanamine

Drug info:

PubChemData

Smile

CC1=C(OC(=C1C(CCC(C)(C)OC)N)C)C

DOS

IR

Vibrations