Geometry & MOs

Info

ID:	69773
PubChem CID:	47205361
Reduced:	O2N3C13H13 (1)
Stoich.:	A2B3C13D13 (1)
Weight, g/mol:	250.142976
ΔH_f, kcal/mol:	14.29
Dipole, Da:	0.93
IP(EA), eV:	-9.5(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(oxolan-2-ylmethyl)-3-(pyrimidin-2-ylamino)propanamide

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C2=NOC(=C2)C3=CN=CC=C3

DOS

IR

Vibrations