Geometry & MOs

Info

ID:	144469
PubChem CID:	53374006
Reduced:	Cl2N2O3F6H20C25 (1)
Stoich.:	A2B2C3D6E20F25 (1)
Weight, g/mol:	507.22704
ΔH_f, kcal/mol:	-356.1
Dipole, Da:	3.18
IP(EA), eV:	-9.93(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[4-(3-methylfuran-2-carbonyl)piperazin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(4-phenylphenyl)methanone

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C2=CC(OC2)(C3=CC(=CC(=C3)Cl)Cl)C(F)(F)F)C(=O)NC4CC(=NOCC(F)(F)F)C4

DOS

IR

Vibrations