Geometry & MOs

Info

ID:	229489
PubChem CID:	87567835
Reduced:	O3N5C38H43 (1)
Stoich.:	A3B5C38D43 (1)
Weight, g/mol:	389.107514
ΔH_f, kcal/mol:	-36.07
Dipole, Da:	4.24
IP(EA), eV:	-8.8(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[2,6-bis(trifluoromethyl)phenyl]-3-methyl-4H-pyrido[2,3-d]pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

C1CN(CCC1N2C3=CC=CC=C3N(C2=O)CCN)C(=O)OC[C@H](CC4=CC=CC=C4)N(CC5=CC=CC=C5)CC6=CC=CC=C6

DOS

IR

Vibrations