Geometry & MOs

Info

ID:	140390
PubChem CID:	52690036
Reduced:	N3O3C25H39 (1)
Stoich.:	A3B3C25D39 (1)
Weight, g/mol:	362.291986
ΔH_f, kcal/mol:	-116.9
Dipole, Da:	5.7
IP(EA), eV:	-8.25(0.15)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[4-(cyclohexylmethyl)-1,4-diazepan-1-ium-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide

Drug info:

PubChemData

Smile

COC1=C(C=C2CN(CCC2=C1)C(=O)CN3CCCN(CC3)CC4CCCCC4)OC

DOS

IR

Vibrations