Geometry & MOs

Info

ID:	183974
PubChem CID:	77097679
Reduced:	N3O4C18H25 (1)
Stoich.:	A3B4C18D25 (1)
Weight, g/mol:	370.182733
ΔH_f, kcal/mol:	-156.11
Dipole, Da:	7.28
IP(EA), eV:	-9.21(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-benzylsulfanylpyrimidin-5-yl)methyl]-N,4-dimethylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=O)C=C(O1)C(=O)NC2CCN(CC2)C(=O)N3CCCCC3

DOS

IR

Vibrations