Geometry & MOs

Info

ID:	196933
PubChem CID:	78898581
Reduced:	ON6C13H20 (1)
Stoich.:	AB6C13D20 (1)
Weight, g/mol:	342.169191
ΔH_f, kcal/mol:	21.33
Dipole, Da:	4.49
IP(EA), eV:	-9.63(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-2-[4-[1-[(4-methoxypyrimidin-2-yl)amino]ethyl]phenoxy]acetamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=NN(C(=C1)C(=O)NCC2=NN=CN2C)C

DOS

IR

Vibrations