Geometry & MOs

Info

ID:	160703
PubChem CID:	57389486
Reduced:	OF2N6H16C21 (1)
Stoich.:	AB2C6D16E21 (1)
Weight, g/mol:	364.109089
ΔH_f, kcal/mol:	14.59
Dipole, Da:	6.1
IP(EA), eV:	-9.06(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3-chloroanilino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-phenylmethanone

Drug info:

PubChemData

Smile

C1=CN=C(N=C1)C2=C(C=C(C=C2)F)C(=O)NCCN3C=CC(=N3)C4=NC=C(C=C4)F

DOS

IR

Vibrations