Geometry & MOs

Info

ID:	291340
PubChem CID:	111978689
Reduced:	IOSN4C21H29 (1)
Stoich.:	ABCD4E21F29 (1)
Weight, g/mol:	398.214033
ΔH_f, kcal/mol:	10.87
Dipole, Da:	6.4
IP(EA), eV:	-8.96(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-ethyl-2-(thiophen-3-ylmethyl)guanidine

Drug info:

PubChemData

Smile

CN=C(NCC1=CSC=C1)NCC(=O)N2CCC(CC2)CC3=CC=CC=C3.I

DOS

IR

Vibrations