Geometry & MOs

Info

ID:	449022
PubChem CID:	135295294
Reduced:	N7C22H27 (1)
Stoich.:	A7B22C27 (1)
Weight, g/mol:	333.195346
ΔH_f, kcal/mol:	107.83
Dipole, Da:	7.76
IP(EA), eV:	-8.62(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-ethynyl-2-methylpyridin-3-yl)-N'-[4-(pyrrolidin-1-ylmethyl)pyridin-2-yl]ethanimidamide

Drug info:

PubChemData

Smile

CC1C(C=NN1)C2=NC3=C(C=C2)N=C(C3C)NC4=NC=CC(=C4)CN5CCCC5

DOS

IR

Vibrations