Geometry & MOs

Info

ID:	201497
PubChem CID:	79546506
Reduced:	N3C17H23 (1)
Stoich.:	A3B17C23 (1)
Weight, g/mol:	275.188529
ΔH_f, kcal/mol:	28.88
Dipole, Da:	2.86
IP(EA), eV:	-8.68(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(2-hydroxypropyl)pyrrolidin-1-yl]-3-(3-methylphenyl)propan-1-one

Drug info:

PubChemData

Smile

C1CCC(C(C1)C2CCCN2)NC3=CC=CC=C3C#N

DOS

IR

Vibrations