Geometry & MOs

Info

ID:	333809
PubChem CID:	127252361
Reduced:	ON6C16H20 (1)
Stoich.:	AB6C16D20 (1)
Weight, g/mol:	312.169859
ΔH_f, kcal/mol:	26.81
Dipole, Da:	3.54
IP(EA), eV:	-9.2(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[2-[(3-methylpyridin-2-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]acetamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations