Geometry & MOs

Info

ID:	185562
PubChem CID:	77314505
Reduced:	SN5C15H21 (1)
Stoich.:	AB5C15D21 (1)
Weight, g/mol:	423.172896
ΔH_f, kcal/mol:	40.04
Dipole, Da:	2.87
IP(EA), eV:	-7.85(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-5-methylpyrimidin-4-yl]-(4-phenyl-3H-1,3-thiazol-2-ylidene)methanamine

Drug info:

PubChemData

Smile

CC1=CSC(=C(C2=NC(=NC=C2)NC3CCCCC3)N)N1

DOS

IR

Vibrations