Geometry & MOs

Info

ID:	38416
PubChem CID:	8036221
Reduced:	N2O3H15C19 (1)
Stoich.:	A2B3C15D19 (1)
Weight, g/mol:	363.140533
ΔH_f, kcal/mol:	-31.92
Dipole, Da:	4.04
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.162146
Charge, e:	0

Chem-info

IUPAC name:

4-(7-ethyl-1H-indol-3-yl)-N-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-amine

Drug info:

PubChemData

Smile

C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)C[N+]3=CC4=CC=CC=C4C=C3

DOS

IR

Vibrations