Geometry & MOs

Info

ID:	342446
PubChem CID:	127265601
Reduced:	NO2C16H21 (1)
Stoich.:	AB2C16D21 (1)
Weight, g/mol:	348.104482
ΔH_f, kcal/mol:	-50.76
Dipole, Da:	3.91
IP(EA), eV:	-8.97(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(1-benzylpyrazol-4-yl)prop-1-en-2-yl]-3H-thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1O)N(C)C(=O)C=C(C)C2CC2

DOS

IR

Vibrations