Geometry & MOs

Info

ID:	27413
PubChem CID:	821217
Reduced:	NOC10H11 (2)
Stoich.:	ABC10D11 (2)
Weight, g/mol:	167.069477
ΔH_f, kcal/mol:	-59.29
Dipole, Da:	4.29
IP(EA), eV:	-8.44(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-4-hydroxy-5-prop-2-enyl-1H-pyrimidin-6-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CNC(=O)[C@H]2CC(=O)N(C2)C3=CC=C(C=C3)C

DOS

IR

Vibrations