Geometry & MOs

Info

ID:	366638
PubChem CID:	127320167
Reduced:	O2N5C19H23 (1)
Stoich.:	A2B5C19D23 (1)
Weight, g/mol:	315.115381
ΔH_f, kcal/mol:	-14.14
Dipole, Da:	6.17
IP(EA), eV:	-8.88(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one

Drug info:

PubChemData

Smile

CN(CC1=CC=NN1)CC(=O)N2C3=CC=CC=C3NC(=O)C24CCCC4

DOS

IR

Vibrations