Geometry & MOs

Info

ID:	230361
PubChem CID:	87570718
Reduced:	BrON7C16H16 (1)
Stoich.:	ABC7D16E16 (1)
Weight, g/mol:	211.0667
ΔH_f, kcal/mol:	65.61
Dipole, Da:	5.31
IP(EA), eV:	-8.95(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-formyl-1-hydroxy-N,N-dimethylcyclohexa-2,4-diene-1-carbothioamide

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1Br)C2=CN=C3C(=N2)C(=NC(=N3)N)N4CCOCC4

DOS

IR

Vibrations