Geometry & MOs

Info

ID:	59697
PubChem CID:	24894026
Reduced:	FON2C14H19 (1)
Stoich.:	ABC2D14E19 (1)
Weight, g/mol:	514.274405
ΔH_f, kcal/mol:	-83.45
Dipole, Da:	3.95
IP(EA), eV:	-9.31(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-fluorophenyl)-2-[4-[4-(1H-indol-3-yl)piperidin-1-yl]butyl]-5,6,7,8-tetrahydropyrido[1,2-c]pyrimidine-1,3-dione

Drug info:

PubChemData

Smile

CC[C@@H](C)[C@@H](C(=O)N1CC2=C(C1)C=C(C=C2)F)N

DOS

IR

Vibrations