Geometry & MOs

Info

ID:	292982
PubChem CID:	117368175
Reduced:	NOC7H9 (2)
Stoich.:	ABC7D9 (2)
Weight, g/mol:	246.173213
ΔH_f, kcal/mol:	-70.97
Dipole, Da:	3.74
IP(EA), eV:	-8.76(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-methyl-5-[2-(oxetan-3-yl)phenyl]pyrrolidin-3-yl]methanamine

Drug info:

PubChemData

Smile

CC1C(=O)NC2=C(O1)C=CC(=C2)C3(CCCN3)C

DOS

IR

Vibrations