Geometry & MOs

Info

ID:	197875
PubChem CID:	79008886
Reduced:	N3C18H31 (1)
Stoich.:	A3B18C31 (1)
Weight, g/mol:	348.07249
ΔH_f, kcal/mol:	9.24
Dipole, Da:	3.68
IP(EA), eV:	-8.41(0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzyl-1-(2-bromo-5-methoxyphenyl)butan-2-ol

Drug info:

PubChemData

Smile

CCC1CN(CCN1C)C(CC)(CC2=CC=CC=C2)CN

DOS

IR

Vibrations