Geometry & MOs

Info

ID:	360220
PubChem CID:	127300863
Reduced:	OSN8C15H24 (1)
Stoich.:	ABC8D15E24 (1)
Weight, g/mol:	375.263425
ΔH_f, kcal/mol:	74.59
Dipole, Da:	4.57
IP(EA), eV:	-8.99(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[4-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-3-oxopropyl]cyclohexanecarboxamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CN2CCCN(CC2)C(=O)CCSC3=NN=NN3C

DOS

IR

Vibrations