Geometry & MOs

Info

ID:	330521
PubChem CID:	127247928
Reduced:	O2N5C13H21 (1)
Stoich.:	A2B5C13D21 (1)
Weight, g/mol:	296.130697
ΔH_f, kcal/mol:	-56.32
Dipole, Da:	9.89
IP(EA), eV:	-9.2(0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-acetyl-N-methyl-4-(1,3-thiazol-5-ylmethyl)-1,4-diazepane-6-carboxamide

Drug info:

PubChemData

Smile

CC(=O)N1CCN(CC(C1)C(=O)NC)CC2=CN=CN2

DOS

IR

Vibrations