Geometry & MOs

Info

ID:	349214
PubChem CID:	127274940
Reduced:	O3N5C17H23 (1)
Stoich.:	A3B5C17D23 (1)
Weight, g/mol:	251.163377
ΔH_f, kcal/mol:	-46.56
Dipole, Da:	5.58
IP(EA), eV:	-9.26(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=NN=C(C=C1)N2C(=C(C=N2)C(=O)N3CCCOC(C3)C)C

DOS

IR

Vibrations