Geometry & MOs

Info

ID:	127411
PubChem CID:	51001129
Reduced:	O2N3C25H29 (1)
Stoich.:	A2B3C25D29 (1)
Weight, g/mol:	338.123504
ΔH_f, kcal/mol:	3.13
Dipole, Da:	1.45
IP(EA), eV:	-8.21(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(diethylamino)ethyl]-8,10-dithia-3,4-diazatricyclo[7.3.0.02,6]dodeca-1(9),4,11-triene-5-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C2=CC=CC=C2N1)C[C@H]3CCCN3[C@H](C)C4=CC=C(C=C4)/C=C/C(=O)NO

DOS

IR

Vibrations