Geometry & MOs

Info

ID:	236468
PubChem CID:	92713313
Reduced:	BrNO3C18H18 (1)
Stoich.:	ABC3D18E18 (1)
Weight, g/mol:	297.136493
ΔH_f, kcal/mol:	-85.04
Dipole, Da:	4.26
IP(EA), eV:	-8.47(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-6-methoxy-N-(3-methylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)OC[C@@H](C2)C(=O)NCC3=CC=CC=C3Br

DOS

IR

Vibrations