Geometry & MOs

Info

ID:	291357
PubChem CID:	111978731
Reduced:	ION4C21H33 (1)
Stoich.:	ABC4D21E33 (1)
Weight, g/mol:	356.257612
ΔH_f, kcal/mol:	-13.61
Dipole, Da:	8.2
IP(EA), eV:	-9.2(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCNC(=NCC(=O)N1CCC(CC1)CC2=CC=CC=C2)NC3CC3C.I

DOS

IR

Vibrations