Geometry & MOs

Info

ID:	16658
PubChem CID:	474456
Reduced:	NOC4H6 (4)
Stoich.:	ABC4D6 (4)
Weight, g/mol:	336.179755
ΔH_f, kcal/mol:	-149.08
Dipole, Da:	5.0
IP(EA), eV:	-9.1(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R,4R,5S)-4,5-bis(hydroxymethyl)oxolan-2-yl]-4-(piperidin-1-ylmethylideneamino)pyrimidin-2-one

Drug info:

PubChemData

Smile

C1CCN(CC1)C=NC2=NC(=O)N(C=C2)[C@H]3C[C@@H]([C@H](O3)CO)CO

DOS

IR

Vibrations