Geometry & MOs

Info

ID:	121858
PubChem CID:	50784355
Reduced:	O3N6C29H30 (1)
Stoich.:	A3B6C29D30 (1)
Weight, g/mol:	404.184841
ΔH_f, kcal/mol:	15.66
Dipole, Da:	4.0
IP(EA), eV:	-8.64(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cycloheptyl-5-[(7-oxo-2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)methyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1CNC(=O)CCCN2C(=O)C3=C(N(N=C3C(=N2)C)C4=CC=CC=C4)N5C=CC=C5

DOS

IR

Vibrations