Geometry & MOs

Info

ID:	360241
PubChem CID:	127300884
Reduced:	O2N8C19H26 (1)
Stoich.:	A2B8C19D26 (1)
Weight, g/mol:	397.214761
ΔH_f, kcal/mol:	22.36
Dipole, Da:	8.19
IP(EA), eV:	-9.21(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1,1-dioxothiolan-3-yl)-methylamino]-1-[4-[(1-ethylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]ethanone

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)CN2CCCN(CC2)C(=O)CN3C=NC4=C(C3=O)C=NN4C

DOS

IR

Vibrations