Geometry & MOs

Info

ID:	280779
PubChem CID:	103851233
Reduced:	ON2C18H20 (1)
Stoich.:	AB2C18D20 (1)
Weight, g/mol:	266.153147
ΔH_f, kcal/mol:	30.64
Dipole, Da:	4.09
IP(EA), eV:	-9.18(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]methyl]benzonitrile

Drug info:

PubChemData

Smile

CCC(C1=CC=CC=C1OC)NCC2=CC=CC=C2C#N

DOS

IR

Vibrations