Geometry & MOs

Info

ID:	364615
PubChem CID:	127315867
Reduced:	ON3C16H23 (1)
Stoich.:	AB3C16D23 (1)
Weight, g/mol:	235.168462
ΔH_f, kcal/mol:	-28.91
Dipole, Da:	5.89
IP(EA), eV:	-8.93(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,3-dimethylpyrazol-4-yl)-(4-methylazepan-1-yl)methanone

Drug info:

PubChemData

Smile

CC1=NN(C=C1C(=O)N2CC3CC4CC(C3)CC2C4)C

DOS

IR

Vibrations