Geometry & MOs

Info

ID:	178024
PubChem CID:	76265101
Reduced:	O3N4C22H36 (1)
Stoich.:	A3B4C22D36 (1)
Weight, g/mol:	477.05442
ΔH_f, kcal/mol:	-145.0
Dipole, Da:	5.3
IP(EA), eV:	-8.47(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-6-methyl-5-(4-methylphenyl)-2,3,4a,7a-tetrahydro-1H-thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC(C)CN1C(C(C(=O)NC1=O)N(CC2=CC(=CC=C2)OC(C)C)CC(C)C)N

DOS

IR

Vibrations