Geometry & MOs

Info

ID:	201432
PubChem CID:	79540671
Reduced:	N2C8H11 (2)
Stoich.:	A2B8C11 (2)
Weight, g/mol:	273.172879
ΔH_f, kcal/mol:	50.98
Dipole, Da:	2.52
IP(EA), eV:	-8.57(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methylphenyl)-1-[2-(2-oxopropyl)pyrrolidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC(CC1CCCN1)NC2=CC(=CC=C2)N3C=CC=N3

DOS

IR

Vibrations