Geometry & MOs

Info

ID:	290901
PubChem CID:	111632392
Reduced:	OSN5C23H35 (1)
Stoich.:	ABC5D23E35 (1)
Weight, g/mol:	423.299811
ΔH_f, kcal/mol:	10.96
Dipole, Da:	5.6
IP(EA), eV:	-8.7(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[[N'-[[3-(diethylaminomethyl)phenyl]methyl]-N-ethylcarbamimidoyl]amino]ethyl]-N-methylbenzamide

Drug info:

PubChemData

Smile

CCNC(=NCC(C1=CSC=C1)N(CC)CC)NCCC2=CC(=CC=C2)C(=O)NC

DOS

IR

Vibrations