Geometry & MOs

Info

ID:	333552
PubChem CID:	127252104
Reduced:	N7C18H19 (1)
Stoich.:	A7B18C19 (1)
Weight, g/mol:	352.201159
ΔH_f, kcal/mol:	116.06
Dipole, Da:	5.23
IP(EA), eV:	-8.63(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclohexyl-[3-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(N=CC=C1)NC2=NC=CC(=N2)C3CCN(C3)C4=NC=CN=C4

DOS

IR

Vibrations