Geometry & MOs

Info

ID:	334118
PubChem CID:	127252670
Reduced:	NO6C31H31 (1)
Stoich.:	AB6C31D31 (1)
Weight, g/mol:	351.194677
ΔH_f, kcal/mol:	-160.3
Dipole, Da:	3.24
IP(EA), eV:	-8.71(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-(1-methylindole-6-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one

Drug info:

PubChemData

Smile

CC1=CC(=O)C(=C(O1)C(CC(=O)NCCC(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC(=C(C=C4)O)OC)O

DOS

IR

Vibrations