Geometry & MOs

Info

ID:	36423
PubChem CID:	8006343
Reduced:	ON2C10H13 (2)
Stoich.:	AB2C10D13 (2)
Weight, g/mol:	385.065176
ΔH_f, kcal/mol:	-65.21
Dipole, Da:	4.67
IP(EA), eV:	-8.83(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4-chlorophenyl)-2-[[furan-2-ylmethyl(methyl)amino]methyl]-1H-thieno[3,2-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=C(NC(=C1[C@@H](C)O)C)C(=O)N[C@H](C2=NC3=CC=CC=C3N2)C(C)C

DOS

IR

Vibrations