Geometry & MOs

Info

ID:	305649
PubChem CID:	124963664
Reduced:	O2N3C15H21 (1)
Stoich.:	A2B3C15D21 (1)
Weight, g/mol:	299.138225
ΔH_f, kcal/mol:	-42.68
Dipole, Da:	4.95
IP(EA), eV:	-8.45(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]pyrimidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(=O)N1CCO[C@H](C1)C2=NC=C(C=C2)NCC3CC3

DOS

IR

Vibrations