Geometry & MOs

Info

ID:	288531
PubChem CID:	104318937
Reduced:	ClON2C14H19 (1)
Stoich.:	ABC2D14E19 (1)
Weight, g/mol:	236.188863
ΔH_f, kcal/mol:	-34.58
Dipole, Da:	3.2
IP(EA), eV:	-8.46(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(methylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]butan-2-ol

Drug info:

PubChemData

Smile

CC(CCN1C=C(C2=C1C=C(C=C2)Cl)CNC)O

DOS

IR

Vibrations