Geometry & MOs

Info

ID:	229079
PubChem CID:	87566906
Reduced:	NSO5C14H29 (1)
Stoich.:	ABC5D14E29 (1)
Weight, g/mol:	381.104874
ΔH_f, kcal/mol:	-234.62
Dipole, Da:	14.93
IP(EA), eV:	-9.79(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6E)-6-[2-amino-4-(methylamino)-8H-pyrido[2,3-d]pyrimidin-7-ylidene]cyclohexa-2,4-dien-1-one;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

CCC(C)[N+]1(CCCC(=O)C1)C(C)CC.COS(=O)(=O)[O-]

DOS

IR

Vibrations