Geometry & MOs

Info

ID:	177303
PubChem CID:	76164357
Reduced:	N4O4C27H28 (1)
Stoich.:	A4B4C27D28 (1)
Weight, g/mol:	399.252192
ΔH_f, kcal/mol:	-108.08
Dipole, Da:	3.65
IP(EA), eV:	-8.94(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(cyclohexen-1-yl)-12-ethyl-10-(hydroxymethyl)-6-oxo-N-propyl-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide

Drug info:

PubChemData

Smile

CCNC(=O)C1C(C2CN3C(=CC=C(C3=O)C4=CC=CC=C4)C2N1C(=O)CC5=CN=CC=C5)CO

DOS

IR

Vibrations