Geometry & MOs

Info

ID:	418956
PubChem CID:	135107219
Reduced:	SN4O4C14H24 (1)
Stoich.:	AB4C4D14E24 (1)
Weight, g/mol:	441.252861
ΔH_f, kcal/mol:	-147.76
Dipole, Da:	8.82
IP(EA), eV:	-9.61(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-[[1-[(4-phenylphenyl)methyl]piperidin-4-yl]amino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone

Drug info:

PubChemData

Smile

CCC1=C(C(=NN1)C(=O)N[C@H]2COC[C@H]2CS(=O)(=O)N(C)C)C

DOS

IR

Vibrations