Geometry & MOs

Info

ID:	370788
PubChem CID:	127340570
Reduced:	SN2O3C17H30 (1)
Stoich.:	AB2C3D17E30 (1)
Weight, g/mol:	290.210661
ΔH_f, kcal/mol:	-150.34
Dipole, Da:	6.16
IP(EA), eV:	-8.88(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-cyclopentyl-1,4-diazepan-1-yl)-(1,5-dimethylpyrazol-4-yl)methanone

Drug info:

PubChemData

Smile

CS(=O)(=O)C1(CCCC1)C(=O)N2CCCN(CC2)C3CCCC3

DOS

IR

Vibrations