Geometry & MOs

Info

ID:	266133
PubChem CID:	103558485
Reduced:	NO3C17H27 (1)
Stoich.:	AB3C17D27 (1)
Weight, g/mol:	327.08339
ΔH_f, kcal/mol:	-122.68
Dipole, Da:	3.54
IP(EA), eV:	-8.56(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-3-(2-bromophenyl)-1-(1-methoxycyclobutyl)butan-2-ol

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C(CN)C(CC2(CCC2)OC)O

DOS

IR

Vibrations