Geometry & MOs

Info

ID:	162707
PubChem CID:	57551528
Reduced:	BrFON3H17C18 (1)
Stoich.:	ABCD3E17F18 (1)
Weight, g/mol:	351.138305
ΔH_f, kcal/mol:	-44.18
Dipole, Da:	2.96
IP(EA), eV:	-8.35(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(7-fluoro-1H-indol-3-yl)ethyl]-5-methoxy-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C2C(=C(NC2=C(C=C1)F)C)CCNC(=O)C3=CN=C(C=C3)Br

DOS

IR

Vibrations