Geometry & MOs

Info

ID:	142540
PubChem CID:	53053563
Reduced:	O4N5C27H29 (1)
Stoich.:	A4B5C27D29 (1)
Weight, g/mol:	371.232125
ΔH_f, kcal/mol:	-52.82
Dipole, Da:	6.07
IP(EA), eV:	-8.13(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cycloheptyl-2-ethyl-11-methyl-8-oxo-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),3,5-triene-4-carboxamide

Drug info:

PubChemData

Smile

CCN1C2=C(CN(CC2)CC3=CC=CC=C3)C(=O)N4C1=C(C=N4)C(=O)NC5=CC(=C(C=C5)OC)OC

DOS

IR

Vibrations