Geometry & MOs

Info

ID:	32058
PubChem CID:	4255435
Reduced:	N3C14H15 (1)
Stoich.:	A3B14C15 (1)
Weight, g/mol:	429.135638
ΔH_f, kcal/mol:	77.51
Dipole, Da:	4.92
IP(EA), eV:	-8.27(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[(2-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)acetonitrile

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NN=C(C)C2=CN=CC=C2

DOS

IR

Vibrations