Geometry & MOs

Info

ID:	253754
PubChem CID:	103120407
Reduced:	O2N3C15H23 (1)
Stoich.:	A2B3C15D23 (1)
Weight, g/mol:	265.179027
ΔH_f, kcal/mol:	-70.96
Dipole, Da:	5.06
IP(EA), eV:	-9.22(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-hydroxypropyl)azepan-1-yl]-(1-methylpyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(=O)N2CCCCC2C3CCCC3O

DOS

IR

Vibrations