Geometry & MOs

Info

ID:	330567
PubChem CID:	127247974
Reduced:	ON5C13H21 (1)
Stoich.:	AB5C13D21 (1)
Weight, g/mol:	282.151433
ΔH_f, kcal/mol:	2.95
Dipole, Da:	6.49
IP(EA), eV:	-8.82(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCN(CC(C1)C(=O)N(C)C)C2=NC=NC=C2

DOS

IR

Vibrations