Geometry & MOs

Info

ID:	290858
PubChem CID:	111364670
Reduced:	IO2N5C16H26 (1)
Stoich.:	AB2C5D16E26 (1)
Weight, g/mol:	411.12699
ΔH_f, kcal/mol:	-55.17
Dipole, Da:	4.18
IP(EA), eV:	-9.22(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-[3-[[N'-[2-(dimethylamino)-2-oxoethyl]-N-ethylcarbamimidoyl]amino]propyl]benzamide

Drug info:

PubChemData

Smile

CCNC(=NCC1=CC=C(C=C1)C(=O)NC)NCC(=O)N(C)C.I

DOS

IR

Vibrations