Geometry & MOs

Info

ID:	349529
PubChem CID:	127275416
Reduced:	N3O3C13H19 (1)
Stoich.:	A3B3C13D19 (1)
Weight, g/mol:	352.193297
ΔH_f, kcal/mol:	-116.0
Dipole, Da:	4.67
IP(EA), eV:	-8.43(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1,4-oxazepane-4-carboxamide

Drug info:

PubChemData

Smile

CC1CN(CCCO1)C(=O)NC2=CN(C(=O)C=C2)C

DOS

IR

Vibrations