Geometry & MOs

Info

ID:	85868
PubChem CID:	49879814
Reduced:	BrO2N3C21H22 (1)
Stoich.:	AB2C3D21E22 (1)
Weight, g/mol:	300.093249
ΔH_f, kcal/mol:	-23.12
Dipole, Da:	4.89
IP(EA), eV:	-8.63(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methoxy-1-methyl-N-(thiophen-2-ylmethyl)indole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N(C(=C2)C(=O)NC3=CC(=C(C=C3)N4CCOCC4)Br)C

DOS

IR

Vibrations