Geometry & MOs

Info

ID:	293812
PubChem CID:	117402803
Reduced:	NOC17H25 (1)
Stoich.:	ABC17D25 (1)
Weight, g/mol:	259.193614
ΔH_f, kcal/mol:	-35.59
Dipole, Da:	2.85
IP(EA), eV:	-8.35(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(cyclopropylmethoxy)-3,5-dimethylphenyl]methyl]pyrrolidine

Drug info:

PubChemData

Smile

CC1=C2CCCCC2=CC(=C1C3(CC3)C(C)N)OC

DOS

IR

Vibrations