Geometry & MOs

Info

ID:	298398
PubChem CID:	117649171
Reduced:	SN3C12H17 (1)
Stoich.:	AB3C12D17 (1)
Weight, g/mol:	215.142248
ΔH_f, kcal/mol:	22.71
Dipole, Da:	1.45
IP(EA), eV:	-9.59(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-di(propan-2-yl)pyrido[2,3-d]pyrimidine

Drug info:

PubChemData

Smile

CC1=NC2=C(N=C(N=C2S1)C(C)C)C(C)C

DOS

IR

Vibrations