Geometry & MOs

Info

ID:	336203
PubChem CID:	127255210
Reduced:	BrNO5H24C35 (1)
Stoich.:	ABC5D24E35 (1)
Weight, g/mol:	375.194677
ΔH_f, kcal/mol:	-46.08
Dipole, Da:	2.95
IP(EA), eV:	-8.71(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methoxy-N-[2-(1-propan-2-ylindol-3-yl)ethyl]-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CC(=O)OC1=CC=CC2=C1N3[C@H]([C@@H](C4(C3C=C2)C(=O)C5=CC=CC=C5C4=O)C6=CC=C(C=C6)Br)C(=O)C7=CC=CC=C7

DOS

IR

Vibrations