Geometry & MOs

Info

ID:	368040
PubChem CID:	127326810
Reduced:	FON5C22H30 (1)
Stoich.:	ABC5D22E30 (1)
Weight, g/mol:	348.173231
ΔH_f, kcal/mol:	-23.33
Dipole, Da:	2.73
IP(EA), eV:	-9.03(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1-methylpyrazol-4-yl)methyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CN2CCCN(CC2)C(=O)NC(C3CCC3)C4=CC=C(C=C4)F

DOS

IR

Vibrations