Geometry & MOs

Info

ID:	358387
PubChem CID:	127295932
Reduced:	O2N4C17H22 (1)
Stoich.:	A2B4C17D22 (1)
Weight, g/mol:	395.232125
ΔH_f, kcal/mol:	-22.45
Dipole, Da:	2.64
IP(EA), eV:	-8.47(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-cyclopentylacetyl)-N-(1-phenylpyrazol-3-yl)-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CN(CC1CCCOC1)C(=O)NC2=NN(C=C2)C3=CC=CC=C3

DOS

IR

Vibrations