Geometry & MOs

Info

ID:	291345
PubChem CID:	111978711
Reduced:	ION6C21H31 (1)
Stoich.:	ABC6D21E31 (1)
Weight, g/mol:	382.24811
ΔH_f, kcal/mol:	25.65
Dipole, Da:	5.53
IP(EA), eV:	-9.11(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-methyl-3-[(2-methylpyrazol-3-yl)methyl]guanidine

Drug info:

PubChemData

Smile

CN=C(NCC1=CC=NN1C)NCC(=O)N2CCC(CC2)CC3=CC=CC=C3.I

DOS

IR

Vibrations