Geometry & MOs

Info

ID:	415611
PubChem CID:	135088610
Reduced:	O2N4C17H28 (1)
Stoich.:	A2B4C17D28 (1)
Weight, g/mol:	362.141262
ΔH_f, kcal/mol:	-68.1
Dipole, Da:	6.99
IP(EA), eV:	-8.83(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1,4-diazepan-1-yl]-2-(3-methyl-1,2-oxazol-5-yl)ethanone

Drug info:

PubChemData

Smile

CC(C)N1C=CC(=N1)C(=O)N2CC[C@]3(CCCN([C@@H]3C2)C)CO

DOS

IR

Vibrations