Geometry & MOs

Info

ID:	79289
PubChem CID:	49747867
Reduced:	NO3C14H17 (1)
Stoich.:	AB3C14D17 (1)
Weight, g/mol:	271.103085
ΔH_f, kcal/mol:	-105.66
Dipole, Da:	5.58
IP(EA), eV:	-9.56(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methylthiophen-2-yl)-(3-phenylpyrrolidin-1-yl)methanone

Drug info:

PubChemData

Smile

CCOC(=O)C(=O)N1CCC(C1)C2=CC=CC=C2

DOS

IR

Vibrations