Geometry & MOs

Info

ID:	404343
PubChem CID:	135065914
Reduced:	NO2C16H17 (1)
Stoich.:	AB2C16D17 (1)
Weight, g/mol:	331.02079
ΔH_f, kcal/mol:	-10.63
Dipole, Da:	4.97
IP(EA), eV:	-9.06(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-bromo-3,4-dihydro-2H-chromen-3-yl)benzamide

Drug info:

PubChemData

Smile

C=CCC(=C=C)N1[C@@H](COC1=O)CC2=CC=CC=C2

DOS

IR

Vibrations