Geometry & MOs

Info

ID:	270523
PubChem CID:	103636998
Reduced:	BrNO3C16H16 (1)
Stoich.:	ABC3D16E16 (1)
Weight, g/mol:	333.03644
ΔH_f, kcal/mol:	-70.61
Dipole, Da:	4.35
IP(EA), eV:	-8.79(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]phenol

Drug info:

PubChemData

Smile

C1COC2=C(O1)C=CC(=C2)CNCC3=C(C=CC(=C3)Br)O

DOS

IR

Vibrations