Geometry & MOs

Info

ID:	344222
PubChem CID:	127267398
Reduced:	FON5C15H22 (1)
Stoich.:	ABC5D15E22 (1)
Weight, g/mol:	261.136493
ΔH_f, kcal/mol:	-37.84
Dipole, Da:	4.66
IP(EA), eV:	-8.33(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(methoxymethyl)-3,4-dihydroisochromen-1-yl]methyl]prop-2-enamide

Drug info:

PubChemData

Smile

CN(C)C1=NC=CC(=N1)N2C[C@H](C[C@H]2CN(C)C(=O)C=C)F

DOS

IR

Vibrations