Geometry & MOs

Info

ID:	192124
PubChem CID:	78232592
Reduced:	ClN2O2C23H31 (1)
Stoich.:	AB2C2D23E31 (1)
Weight, g/mol:	411.198048
ΔH_f, kcal/mol:	-113.78
Dipole, Da:	3.76
IP(EA), eV:	-9.3(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-N-[(5,6-dimethyl-4-oxo-2,3,4a,7a-tetrahydro-1H-thieno[2,3-d]pyrimidin-2-yl)methyl]-3-phenylprop-2-enamide

Drug info:

PubChemData

Smile

CC1CCC2CC(C(=O)NC2C1)CN(C3CCCC3)C(=O)C4=CC=CC=C4Cl

DOS

IR

Vibrations