Geometry & MOs

Info

ID:	349221
PubChem CID:	127274947
Reduced:	ClN2O2C11H15 (1)
Stoich.:	AB2C2D11E15 (1)
Weight, g/mol:	223.132077
ΔH_f, kcal/mol:	-75.51
Dipole, Da:	0.83
IP(EA), eV:	-9.22(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methyl-1,4-oxazepan-4-yl)-(1-methylpyrazol-4-yl)methanone

Drug info:

PubChemData

Smile

CC1CN(CCCO1)C(=O)C2=CC(=CN2)Cl

DOS

IR

Vibrations