Geometry & MOs

Info

ID:	323226
PubChem CID:	126673715
Reduced:	O5H22C29 (1)
Stoich.:	A5B22C29 (1)
Weight, g/mol:	242.00548
ΔH_f, kcal/mol:	-108.93
Dipole, Da:	2.0
IP(EA), eV:	-8.28(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-7-bromo-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-5-amine

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1O)OC)C2C3=C(C=CC4=C3C=CC(=C4)O)OC5=C2C6=C(C=C5)C=C(C=C6)O

DOS

IR

Vibrations