Geometry & MOs

Info

ID:	211453
PubChem CID:	80952999
Reduced:	N3C15H17 (1)
Stoich.:	A3B15C17 (1)
Weight, g/mol:	278.129824
ΔH_f, kcal/mol:	59.12
Dipole, Da:	2.26
IP(EA), eV:	-9.13(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(6-chloro-2-cyclopropylpyrimidin-4-yl)-(2-methylpropyl)amino]propanenitrile

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C2=CC(=NC(=N2)C3CC3)N)C

DOS

IR

Vibrations