Geometry & MOs

Info

ID:	145337
PubChem CID:	53502998
Reduced:	ON5C17H27 (1)
Stoich.:	AB5C17D27 (1)
Weight, g/mol:	265.19026
ΔH_f, kcal/mol:	-19.94
Dipole, Da:	5.79
IP(EA), eV:	-8.55(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-(1-pyrazol-1-ylpropan-2-yl)-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C(=O)NCC2=CN=C(C=C2)N3CCCC3

DOS

IR

Vibrations