Geometry & MOs

Info

ID:	30015
PubChem CID:	838895
Reduced:	NO4H19C20 (1)
Stoich.:	AB4C19D20 (1)
Weight, g/mol:	275.109233
ΔH_f, kcal/mol:	-119.52
Dipole, Da:	3.82
IP(EA), eV:	-9.1(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-5-[(4-propan-2-yloxyphenyl)methyl]-1H-pyrimidine-2-thione

Drug info:

PubChemData

Smile

CC1=C(C=CC2=C1CC[C@@H](C2=O)[C@]3(C4=CC=CC=C4NC3=O)O)OC

DOS

IR

Vibrations