Geometry & MOs

Info

ID:	290773
PubChem CID:	110606523
Reduced:	FO2N3C18H20 (1)
Stoich.:	AB2C3D18E20 (1)
Weight, g/mol:	315.183444
ΔH_f, kcal/mol:	-96.79
Dipole, Da:	3.48
IP(EA), eV:	-9.0(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopropyl-1-[2-(4-methoxy-3-methylbenzoyl)pyrrolidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=CC=C1F)NC(=O)CCCC2=CN=CC=C2

DOS

IR

Vibrations