Geometry & MOs

Info

ID:	150439
PubChem CID:	53790129
Reduced:	N2O2H46C53 (1)
Stoich.:	A2B2C46D53 (1)
Weight, g/mol:	501.92901
ΔH_f, kcal/mol:	95.58
Dipole, Da:	1.75
IP(EA), eV:	-7.86(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-bromophenyl)-7-(4-iodophenyl)pyrido[2,3-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N(C2=CC=C(C=C2)C)C3=CC(=C(C=C3)C4=CC=CC=C4)OCOC5=C(C=CC(=C5)N(C6=CC=C(C=C6)C)C7=CC=C(C=C7)C)C8=CC=CC=C8

DOS

IR

Vibrations