Geometry & MOs

Info

ID:	166296
PubChem CID:	74666258
Reduced:	ClF2N2O2C17H19 (1)
Stoich.:	AB2C2D2E17F19 (1)
Weight, g/mol:	463.279469
ΔH_f, kcal/mol:	-181.34
Dipole, Da:	3.75
IP(EA), eV:	-9.13(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-(7-cyclopropyl-2,4-dioxo-1-propyl-4a,5,6,7,8,8a-hexahydropyrido[2,3-d]pyrimidine-5-carbonyl)piperazine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Cl)NC(=O)C2CNC3CC(CC(C3C2=O)F)F

DOS

IR

Vibrations