Geometry & MOs

Info

ID:	77572
PubChem CID:	49655531
Reduced:	N3O3C18H23 (1)
Stoich.:	A3B3C18D23 (1)
Weight, g/mol:	300.104482
ΔH_f, kcal/mol:	-79.5
Dipole, Da:	5.9
IP(EA), eV:	-9.19(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methylindol-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide

Drug info:

PubChemData

Smile

CC(C)CCNC(=O)CN1C(=O)C=CC(=N1)C2=CC(=CC=C2)OC

DOS

IR

Vibrations