Geometry & MOs

Info

ID:	433202
PubChem CID:	135173339
Reduced:	OC15H20 (1)
Stoich.:	AB15C20 (1)
Weight, g/mol:	409.175004
ΔH_f, kcal/mol:	-34.46
Dipole, Da:	1.65
IP(EA), eV:	-9.16(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-oxopyran-3-yl]oxymethyl]-N,N-dimethyltriazole-1-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1CC(C12COCC3=CC=CC=C23)(C)C

DOS

IR

Vibrations