Geometry & MOs

Info

ID:	377255
PubChem CID:	134223300
Reduced:	BrNOH22C27 (1)
Stoich.:	ABCD22E27 (1)
Weight, g/mol:	411.02588
ΔH_f, kcal/mol:	42.57
Dipole, Da:	3.03
IP(EA), eV:	-7.76(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-19-phenyl-3-oxa-19-azapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2(10),4(9),5,7,11,13,15,17-nonaene

Drug info:

PubChemData

Smile

CC(C)(C1=C(C=CC(=C1)Br)C2=CC3=C4C(=CC=CC4=C2)C=CN3C5=CC=CC=C5)O

DOS

IR

Vibrations