Geometry & MOs

Info

ID:	291320
PubChem CID:	111978629
Reduced:	ION4C21H33 (1)
Stoich.:	ABC4D21E33 (1)
Weight, g/mol:	356.257612
ΔH_f, kcal/mol:	-18.56
Dipole, Da:	7.65
IP(EA), eV:	-7.98(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1-(cyclopropylmethyl)-3-ethylguanidine

Drug info:

PubChemData

Smile

CCNC(=NCC(=O)N1CCC(CC1)CC2=CC=CC=C2)NCC3CC3.I

DOS

IR

Vibrations