Geometry & MOs

Info

ID:	348837
PubChem CID:	127274485
Reduced:	N2O3C14H20 (1)
Stoich.:	A2B3C14D20 (1)
Weight, g/mol:	237.147727
ΔH_f, kcal/mol:	-84.27
Dipole, Da:	3.08
IP(EA), eV:	-9.38(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,5-dimethylpyrazol-3-yl)-(2-methyl-1,4-oxazepan-4-yl)methanone

Drug info:

PubChemData

Smile

CC1CN(CCCO1)C(=O)C2=NOC3=C2CCCC3

DOS

IR

Vibrations