Geometry & MOs

Info

ID:	178945
PubChem CID:	76404480
Reduced:	N3O4C15H21 (1)
Stoich.:	A3B4C15D21 (1)
Weight, g/mol:	404.257612
ΔH_f, kcal/mol:	-150.94
Dipole, Da:	3.02
IP(EA), eV:	-8.65(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,5-dimethylpyrrolidin-1-yl)-[1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]methanone

Drug info:

PubChemData

Smile

CCNC(=O)C1CC(CN1C(=O)C2=C(C(=CC=C2)OC)O)N

DOS

IR

Vibrations