Geometry & MOs

Info

ID:	334238
PubChem CID:	127252790
Reduced:	ON2C8H8 (3)
Stoich.:	AB2C8D8 (3)
Weight, g/mol:	381.168856
ΔH_f, kcal/mol:	-26.39
Dipole, Da:	7.81
IP(EA), eV:	-9.14(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,9S)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=NC(=NN1)NC(=O)CCCN2C3C4=CC=CC=C4C(=O)N3C5=CC=CC=C5C2=O

DOS

IR

Vibrations