Geometry & MOs

Info

ID:	329741
PubChem CID:	127246608
Reduced:	SN5C17H19 (1)
Stoich.:	AB5C17D19 (1)
Weight, g/mol:	327.140533
ΔH_f, kcal/mol:	98.57
Dipole, Da:	4.41
IP(EA), eV:	-8.92(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1)C2CCN(C2)CC3=C(NN=C3)C4=CC=CS4

DOS

IR

Vibrations