Geometry & MOs

Info

ID:	355737
PubChem CID:	127289829
Reduced:	OSN5C19H23 (1)
Stoich.:	ABC5D19E23 (1)
Weight, g/mol:	359.268511
ΔH_f, kcal/mol:	64.79
Dipole, Da:	4.3
IP(EA), eV:	-8.63(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-cyclohexylethyl)-2-[4-(6-methylpyridazin-3-yl)-1,4-diazepan-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2CCCN(CC2)CC3=C(OC(=N3)C4=CSC=C4)C

DOS

IR

Vibrations