Geometry & MOs

Info

ID:	290927
PubChem CID:	111640215
Reduced:	ClION4C18H28 (1)
Stoich.:	ABCD4E18F28 (1)
Weight, g/mol:	391.250274
ΔH_f, kcal/mol:	-21.82
Dipole, Da:	4.81
IP(EA), eV:	-9.32(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[1-(3-chlorophenyl)cyclopropyl]methyl]-1-ethyl-3-[2-(4-ethylpiperazin-1-yl)ethyl]guanidine

Drug info:

PubChemData

Smile

CCNC(=NCC(C)(C)C(=O)N)NCC1(CC1)C2=CC(=CC=C2)Cl.I

DOS

IR

Vibrations