Geometry & MOs

Info

ID:	177295
PubChem CID:	76163561
Reduced:	N3O4C24H31 (1)
Stoich.:	A3B4C24D31 (1)
Weight, g/mol:	339.158292
ΔH_f, kcal/mol:	-133.22
Dipole, Da:	6.17
IP(EA), eV:	-8.7(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-10-(hydroxymethyl)-6-oxo-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide

Drug info:

PubChemData

Smile

CCCN1C2C(CN3C2=CC=C(C3=O)C4=CC=CC=C4OC)C(C1C(=O)N(C)C)CO

DOS

IR

Vibrations