Geometry & MOs

Info

ID:	205960
PubChem CID:	80183093
Reduced:	BrN2C15H23 (1)
Stoich.:	AB2C15D23 (1)
Weight, g/mol:	274.215747
ΔH_f, kcal/mol:	-1.85
Dipole, Da:	2.01
IP(EA), eV:	-8.8(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

14-ethyl-16-methyl-1,12,15,16-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-13(17),14-diene

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(CN)N2CCC(C2)(C)C)Br

DOS

IR

Vibrations