Geometry & MOs

Info

ID:	443550
PubChem CID:	135259303
Reduced:	NO3C16H29 (1)
Stoich.:	AB3C16D29 (1)
Weight, g/mol:	497.220909
ΔH_f, kcal/mol:	-189.46
Dipole, Da:	2.75
IP(EA), eV:	-10.05(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(dimethylamino)ethyl]-4-[[(E,4Z)-4-(4-methyl-2-oxo-1,4-diazaspiro[4.4]nonan-3-ylidene)-1-oxopent-2-en-2-yl]amino]thieno[2,3-d]pyrimidine-6-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C1(CCCCC1)N(C=O)C(=O)OC(C)(C)C

DOS

IR

Vibrations