Geometry & MOs

Info

ID:	397460
PubChem CID:	135030245
Reduced:	BrOSN2C17H21 (1)
Stoich.:	ABCD2E17F21 (1)
Weight, g/mol:	425.246713
ΔH_f, kcal/mol:	-24.3
Dipole, Da:	3.95
IP(EA), eV:	-9.01(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-tert-butylphenyl)-9-[(4-tert-butylphenyl)methyl]-4-oxa-3,8,11-triazatricyclo[6.3.0.02,6]undeca-1(11),2,5,9-tetraene

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)C(CC1=CC2=CC(=CN=C2C=C1)Br)SC

DOS

IR

Vibrations