Geometry & MOs

Info

ID:	448608
PubChem CID:	135292190
Reduced:	O2N5C26H31 (1)
Stoich.:	A2B5C26D31 (1)
Weight, g/mol:	403.273596
ΔH_f, kcal/mol:	17.32
Dipole, Da:	6.93
IP(EA), eV:	-9.07(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-cyclopropyl-2-[[(2R)-2,3-dimethylbutyl]-propylamino]-5-[(4-ethenylpyridin-2-yl)amino]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC(C)C1CN(CCN1C(=O)CCO)C2=NC(=C(C=C2C#N)C3=CC(=NC=C3)C=C)C4CC4

DOS

IR

Vibrations