Geometry & MOs

Info

ID:	367999
PubChem CID:	127326381
Reduced:	O2N5C15H25 (1)
Stoich.:	A2B5C15D25 (1)
Weight, g/mol:	345.227709
ΔH_f, kcal/mol:	-39.14
Dipole, Da:	3.0
IP(EA), eV:	-9.01(0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1-methylpyrazol-4-yl)methyl]-N-(2-propylpyrazol-3-yl)-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CN2CCCN(CC2)C(=O)N3CCOCC3

DOS

IR

Vibrations