Geometry & MOs

Info

ID:	336426
PubChem CID:	127255433
Reduced:	N3O4H23C24 (1)
Stoich.:	A3B4C23D24 (1)
Weight, g/mol:	129.053826
ΔH_f, kcal/mol:	-21.35
Dipole, Da:	2.73
IP(EA), eV:	-8.42(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-1H-pyrimidin-6-one;hydrate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)/C=C/C2=CC(=CC(=C2)OC)NC(=O)C3=CC=C(C=C3)/C=N/NO

DOS

IR

Vibrations