Geometry & MOs

Info

ID:	368223
PubChem CID:	127327774
Reduced:	ON5C20H29 (1)
Stoich.:	AB5C20D29 (1)
Weight, g/mol:	380.224597
ΔH_f, kcal/mol:	-3.43
Dipole, Da:	4.75
IP(EA), eV:	-8.72(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-tert-butyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]azepane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)NC(=O)N2CCCC(CC2)C(C)(C)C)C3=CC=CC=N3

DOS

IR

Vibrations