Geometry & MOs

Info

ID:	31935
PubChem CID:	3724224
Reduced:	BrN2O2C15H15 (1)
Stoich.:	AB2C2D15E15 (1)
Weight, g/mol:	447.215806
ΔH_f, kcal/mol:	-32.69
Dipole, Da:	1.52
IP(EA), eV:	-9.57(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,3-dimethoxyphenyl)-6-(2-methylpropyl)-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione

Drug info:

PubChemData

Smile

CC1=CCC2(C(C1)C3=CC=C(C=C3)Br)C(=O)NNC2=O

DOS

IR

Vibrations