Geometry & MOs

Info

ID:	335923
PubChem CID:	127254785
Reduced:	ON2C6H10 (3)
Stoich.:	AB2C6D10 (3)
Weight, g/mol:	394.146347
ΔH_f, kcal/mol:	-103.83
Dipole, Da:	6.31
IP(EA), eV:	-9.94(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(5-methoxy-2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-4-pyrrol-1-ylbutanamide

Drug info:

PubChemData

Smile

CCOC(=O)N1CCC(CC1)NC(=O)CC2(CCCCC2)CN3C=NN=N3

DOS

IR

Vibrations