Geometry & MOs

Info

ID:	59780
PubChem CID:	24896815
Reduced:	N3O3C29H37 (1)
Stoich.:	A3B3C29D37 (1)
Weight, g/mol:	418.156039
ΔH_f, kcal/mol:	-32.76
Dipole, Da:	4.62
IP(EA), eV:	-8.35(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[3-(3-aminopropyl)-6-chloro-1H-indol-2-yl]phenoxy]benzenecarboximidamide

Drug info:

PubChemData

Smile

CC(C)N(CCNC/C(=C/C1=CC=C(C=C1)C(=O)NO)/COC2=CC=CC3=CC=CC=C32)C(C)C

DOS

IR

Vibrations