Geometry & MOs

Info

ID:	50844
PubChem CID:	12013433
Reduced:	N2O2C23H24 (1)
Stoich.:	A2B2C23D24 (1)
Weight, g/mol:	416.209993
ΔH_f, kcal/mol:	-20.82
Dipole, Da:	6.88
IP(EA), eV:	-8.19(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[3-(2-methyl-1H-indol-3-yl)butanoyl]indole-1-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C2=CC=CC=C2N1)C(C)CC(=O)C3=CN(C4=C3C=C(C=C4)OC)C

DOS

IR

Vibrations