Geometry & MOs

Info

ID:	415548
PubChem CID:	135088544
Reduced:	O2N5C18H21 (1)
Stoich.:	A2B5C18D21 (1)
Weight, g/mol:	347.177982
ΔH_f, kcal/mol:	-1.63
Dipole, Da:	4.26
IP(EA), eV:	-8.81(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=NN1)C[C@@H]2CN(C[C@H]2O)C(=O)C3=NN(C4=CC=CC=C43)C

DOS

IR

Vibrations