Geometry & MOs

Info

ID:	289611
PubChem CID:	104360233
Reduced:	BrON2C11H15 (1)
Stoich.:	ABC2D11E15 (1)
Weight, g/mol:	309.149557
ΔH_f, kcal/mol:	-13.73
Dipole, Da:	2.5
IP(EA), eV:	-8.84(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methylamino]-3-methylcyclohexyl]methanol

Drug info:

PubChemData

Smile

C1COC2=C1C=C(C=C2CNCCN)Br

DOS

IR

Vibrations