Geometry & MOs

Info

ID:	212505
PubChem CID:	81060752
Reduced:	SN3C17H19 (1)
Stoich.:	AB3C17D19 (1)
Weight, g/mol:	271.204848
ΔH_f, kcal/mol:	35.29
Dipole, Da:	3.47
IP(EA), eV:	-8.59(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dimethyl-4-(4-propan-2-ylazepan-1-yl)pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C(=S)N)NC2=CC3=C(CCC3)C=C2

DOS

IR

Vibrations