Geometry & MOs

Info

ID:	422095
PubChem CID:	135117187
Reduced:	OSN4C19H24 (1)
Stoich.:	ABC4D19E24 (1)
Weight, g/mol:	320.221226
ΔH_f, kcal/mol:	-7.08
Dipole, Da:	4.57
IP(EA), eV:	-8.84(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(1-ethylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]-(2-methyloxolan-2-yl)methanone

Drug info:

PubChemData

Smile

CC(C1=NC2=C(S1)CCCC2)NC3=C(C=CC=N3)C(=O)N4CCCC4

DOS

IR

Vibrations