Geometry & MOs

Info

ID:	26899
PubChem CID:	803770
Reduced:	N2O2C17H20 (1)
Stoich.:	A2B2C17D20 (1)
Weight, g/mol:	316.078268
ΔH_f, kcal/mol:	-30.34
Dipole, Da:	3.99
IP(EA), eV:	-9.17(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-11-methyl-6-phenyl-8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-5-carbonitrile

Drug info:

PubChemData

Smile

CC(C)(C(=O)NN(CC1=CC=CC=C1)C2=CC=CC=C2)O

DOS

IR

Vibrations