Geometry & MOs

Info

ID:	315448
PubChem CID:	126626751
Reduced:	NC14H29 (1)
Stoich.:	AB14C29 (1)
Weight, g/mol:	317.109503
ΔH_f, kcal/mol:	-45.76
Dipole, Da:	0.85
IP(EA), eV:	-8.82(1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-7-(4-fluorophenyl)-4-pyrrolidin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine

Drug info:

PubChemData

Smile

CCCCNCCC(C)CCC=C(C)C

DOS

IR

Vibrations