Geometry & MOs

Info

ID:	320400
PubChem CID:	126660218
Reduced:	ON2H16C17 (1)
Stoich.:	AB2C16D17 (1)
Weight, g/mol:	372.12011
ΔH_f, kcal/mol:	74.86
Dipole, Da:	7.1
IP(EA), eV:	-9.33(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-bromophenyl)-4-methyl-10-propan-2-yl-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),10-diene

Drug info:

PubChemData

Smile

CC\1=C(C(=O)N(C(=C)/C1=C/C2=CC=CC2)CC=C)C#N

DOS

IR

Vibrations