Geometry & MOs

Info

ID:	121037
PubChem CID:	50753965
Reduced:	O2N5C26H29 (1)
Stoich.:	A2B5C26D29 (1)
Weight, g/mol:	399.169525
ΔH_f, kcal/mol:	-4.08
Dipole, Da:	4.53
IP(EA), eV:	-8.8(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methylphenyl)-2-(2-oxo-11-phenyl-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-trien-8-yl)acetamide

Drug info:

PubChemData

Smile

CCCCC1=C(N(C2=NC(=NN2C1=O)C3=CC=CC=C3)CC(=O)NC4=CC(=C(C=C4)C)C)C

DOS

IR

Vibrations