Geometry & MOs

Info

ID:	323236
PubChem CID:	126673747
Reduced:	BrN2O3C9H9 (1)
Stoich.:	AB2C3D9E9 (1)
Weight, g/mol:	624.13722
ΔH_f, kcal/mol:	-25.26
Dipole, Da:	6.68
IP(EA), eV:	-8.9(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(6-bromo-9-oxa-2,3-diazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-3-yl)-N,N-bis[(4-methoxyphenyl)methyl]-1,3-benzoxazol-2-amine

Drug info:

PubChemData

Smile

CC1CNC2=C(C=C(C=C2O1)Br)[N+](=O)[O-]

DOS

IR

Vibrations