Geometry & MOs

Info

ID:	176608
PubChem CID:	76072622
Reduced:	ClN2O3H17C21 (1)
Stoich.:	AB2C3D17E21 (1)
Weight, g/mol:	418.0553
ΔH_f, kcal/mol:	-27.08
Dipole, Da:	1.93
IP(EA), eV:	-8.66(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(1S)-1-(3-bromo-4-fluorophenyl)-2-(methylamino)ethyl]amino]pyrido[3,2-d]pyrimidine-8-carboxamide

Drug info:

PubChemData

Smile

C1C(OC2=C1C=C(C=C2Cl)C3=CC=CO3)CNC(=O)/C=C/C4=CN=CC=C4

DOS

IR

Vibrations