Geometry & MOs

Info

ID:	286753
PubChem CID:	104222268
Reduced:	O2N5C12H19 (1)
Stoich.:	A2B5C12D19 (1)
Weight, g/mol:	277.153875
ΔH_f, kcal/mol:	-46.24
Dipole, Da:	7.06
IP(EA), eV:	-9.12(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-[(cyclopropylamino)methyl]pyrimidin-2-yl]morpholine-3-carboxamide

Drug info:

PubChemData

Smile

CCNCC1=CN=C(N=C1)N2CCOCC2C(=O)N

DOS

IR

Vibrations