Geometry & MOs

Info

ID:	293334
PubChem CID:	117384950
Reduced:	ClOC15H21 (1)
Stoich.:	ABC15D21 (1)
Weight, g/mol:	252.139326
ΔH_f, kcal/mol:	-58.19
Dipole, Da:	3.36
IP(EA), eV:	-9.42(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-chloro-4-(pyrrolidin-1-ylmethyl)phenyl]propan-2-amine

Drug info:

PubChemData

Smile

CCC(CC)C1=C(C=C(C=C1)C(C)CC=O)Cl

DOS

IR

Vibrations