Geometry & MOs

Info

ID:	422346
PubChem CID:	135117672
Reduced:	ON6C18H26 (1)
Stoich.:	AB6C18D26 (1)
Weight, g/mol:	379.150761
ΔH_f, kcal/mol:	40.21
Dipole, Da:	3.7
IP(EA), eV:	-8.43(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methoxy-1'-[4-(trifluoromethyl)pyrimidin-2-yl]spiro[3,4-dihydroisochromene-1,4'-piperidine]

Drug info:

PubChemData

Smile

CCC1=CC(=NC(=N1)N2CCCC2)NCCC3=NOC(=N3)C4CCC4

DOS

IR

Vibrations