Geometry & MOs

Info

ID:	183227
PubChem CID:	76994289
Reduced:	FN2O2C15H21 (1)
Stoich.:	AB2C2D15E21 (1)
Weight, g/mol:	292.077869
ΔH_f, kcal/mol:	-89.89
Dipole, Da:	2.56
IP(EA), eV:	-9.24(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-chloro-4-fluorophenyl)-4a,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1CCCCC1OCC2=C(C=C(C=C2)F)C(=NO)N

DOS

IR

Vibrations