Geometry & MOs

Info

ID:	192183
PubChem CID:	78237403
Reduced:	BrN2O2H25C26 (1)
Stoich.:	AB2C2D25E26 (1)
Weight, g/mol:	501.98505
ΔH_f, kcal/mol:	14.65
Dipole, Da:	5.68
IP(EA), eV:	-8.62(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-bromo-5-(2,4-dichlorophenyl)-2-(4-methoxyphenyl)-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2N3C(C=C(N3)C4=CC=C(C=C4)OC(C)C)C5=C(O2)C=CC(=C5)Br

DOS

IR

Vibrations