Geometry & MOs

Info

ID:	348872
PubChem CID:	127274520
Reduced:	SO2N4C13H22 (1)
Stoich.:	AB2C4D13E22 (1)
Weight, g/mol:	237.147727
ΔH_f, kcal/mol:	-60.0
Dipole, Da:	2.38
IP(EA), eV:	-8.76(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN(CCCO1)C(=O)CSC2=NN=CN2C(C)C

DOS

IR

Vibrations