Geometry & MOs

Info

ID:	355345
PubChem CID:	127288322
Reduced:	O2N5C16H25 (1)
Stoich.:	A2B5C16D25 (1)
Weight, g/mol:	331.237211
ΔH_f, kcal/mol:	-43.19
Dipole, Da:	7.67
IP(EA), eV:	-8.85(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C2=NN=CC=C2)CC(=O)NC3CCOCC3

DOS

IR

Vibrations