Geometry & MOs

Info

ID:	187367
PubChem CID:	77565269
Reduced:	NOC10H13 (2)
Stoich.:	ABC10D13 (2)
Weight, g/mol:	314.120132
ΔH_f, kcal/mol:	-64.49
Dipole, Da:	5.41
IP(EA), eV:	-9.12(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(dimethylamino)-4,4-dimethyl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,13,15-pentaen-12-one

Drug info:

PubChemData

Smile

CC(CC(C(CC1=CC=CC=C1)N)O)C(=O)NCC2=CC=CC=C2

DOS

IR

Vibrations