Geometry & MOs

Info

ID:	426480
PubChem CID:	135144413
Reduced:	FSN2H17C21 (1)
Stoich.:	ABC2D17E21 (1)
Weight, g/mol:	348.231397
ΔH_f, kcal/mol:	59.52
Dipole, Da:	2.49
IP(EA), eV:	-8.36(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-methylanilino)methyl]-4-(2-piperidin-1-ylethylamino)benzonitrile

Drug info:

PubChemData

Smile

CN(CC1=C(C=CC(=C1)F)C#N)C2=CC=C(C=C2)SC3=CC=CC=C3

DOS

IR

Vibrations