Geometry & MOs

Info

ID:	143625
PubChem CID:	53236786
Reduced:	FN4O4H29C32 (1)
Stoich.:	AB4C4D29E32 (1)
Weight, g/mol:	300.183778
ΔH_f, kcal/mol:	-100.04
Dipole, Da:	3.12
IP(EA), eV:	-8.74(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[(3aS,6aS)-3,3a,4,6a-tetrahydro-2H-cyclopenta[b]pyrrol-1-yl]propoxy]-N-methylbenzamide

Drug info:

PubChemData

Smile

C1CN(C[C@@H]1N2CC(=O)N3C(C2=O)CC4=C(C3C5=CC6=C(C=C5)OCO6)NC7=C4C=CC(=C7)F)CC8=CC=CC=C8

DOS

IR

Vibrations