Geometry & MOs

Info

ID:	433225
PubChem CID:	135173362
Reduced:	O3N8H24C25 (1)
Stoich.:	A3B8C24D25 (1)
Weight, g/mol:	368.173607
ΔH_f, kcal/mol:	160.15
Dipole, Da:	4.5
IP(EA), eV:	-8.59(-2.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[6-(1,3-dihydroisoindol-2-ylmethyl)-4-oxopyran-3-yl]oxymethyl]piperidine-1-carbaldehyde

Drug info:

PubChemData

Smile

C1CN2[C@H](CNC2=O)CN1C3=NC=C(C=N3)C4=NC5=C(C=C4)N=C6N5C7=CC=CC=C7OCCOC6

DOS

IR

Vibrations