Geometry & MOs

Info

ID:	350192
PubChem CID:	127277270
Reduced:	O2N3C13H23 (1)
Stoich.:	A2B3C13D23 (1)
Weight, g/mol:	393.219846
ΔH_f, kcal/mol:	-88.7
Dipole, Da:	5.36
IP(EA), eV:	-9.33(0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-methylpropanoyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(=O)N1CCCN(CC1)C(=O)NC2CC2

DOS

IR

Vibrations