Geometry & MOs

Info

ID:	294458
PubChem CID:	117462072
Reduced:	ON4C16H22 (1)
Stoich.:	AB4C16D22 (1)
Weight, g/mol:	286.240899
ΔH_f, kcal/mol:	15.89
Dipole, Da:	4.27
IP(EA), eV:	-8.43(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(2-cycloheptylphenyl)-1-methylpyrrolidin-3-yl]methanamine

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2=C(NN=C2)N)CN3CCCCC3

DOS

IR

Vibrations