Geometry & MOs

Info

ID:	430002
PubChem CID:	135170059
Reduced:	ClN2O3H15C16 (1)
Stoich.:	AB2C3D15E16 (1)
Weight, g/mol:	368.120403
ΔH_f, kcal/mol:	-74.25
Dipole, Da:	3.79
IP(EA), eV:	-9.26(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-benzyl-2-chloro-N-(3-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

C1COCCN1C2=C(C=C(C=N2)C(=O)O)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations