Geometry & MOs

Info

ID:	251509
PubChem CID:	103104513
Reduced:	BrN2O2C11H15 (1)
Stoich.:	AB2C2D11E15 (1)
Weight, g/mol:	278.163043
ΔH_f, kcal/mol:	-67.88
Dipole, Da:	3.63
IP(EA), eV:	-9.28(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[ethyl-(7-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]acetamide

Drug info:

PubChemData

Smile

CCN(CC1=C(C(=CC=C1)Br)O)CC(=O)N

DOS

IR

Vibrations