Geometry & MOs

Info

ID:	286171
PubChem CID:	104158262
Reduced:	BrN2O2C14H15 (1)
Stoich.:	AB2C2D14E15 (1)
Weight, g/mol:	309.149557
ΔH_f, kcal/mol:	-37.2
Dipole, Da:	5.28
IP(EA), eV:	-8.84(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methylamino]methyl]-3-methylcyclohexan-1-ol

Drug info:

PubChemData

Smile

CC1CN(CC1C(=O)OC)C2=C(C=C(C=C2)Br)C#N

DOS

IR

Vibrations