Geometry & MOs

Info

ID:	290900
PubChem CID:	111629890
Reduced:	ClN2O2C14H19 (1)
Stoich.:	AB2C2D14E19 (1)
Weight, g/mol:	429.256232
ΔH_f, kcal/mol:	-89.89
Dipole, Da:	5.53
IP(EA), eV:	-8.61(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[[N'-[2-(diethylamino)-2-thiophen-3-ylethyl]-N-ethylcarbamimidoyl]amino]ethyl]-N-methylbenzamide

Drug info:

PubChemData

Smile

CC(C)N1CCC(C1=O)NC2=C(C=CC(=C2)CO)Cl

DOS

IR

Vibrations