Geometry & MOs

Info

ID:	329721
PubChem CID:	127246588
Reduced:	O2N5C16H21 (1)
Stoich.:	A2B5C16D21 (1)
Weight, g/mol:	315.140533
ΔH_f, kcal/mol:	-8.75
Dipole, Da:	5.55
IP(EA), eV:	-9.58(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-(5-propan-2-ylthiophen-3-yl)methanone

Drug info:

PubChemData

Smile

CCC1=NOC(=N1)CCC(=O)N2CCC(C2)C3=NC=CC(=N3)C

DOS

IR

Vibrations