Geometry & MOs

Info

ID:	359288
PubChem CID:	127298220
Reduced:	ON3C9H14 (2)
Stoich.:	AB3C9D14 (2)
Weight, g/mol:	320.221226
ΔH_f, kcal/mol:	-25.24
Dipole, Da:	4.75
IP(EA), eV:	-8.59(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]cycloheptanecarboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)C(C)C(=O)NC2=NN(C=C2)CCN3CCOCC3

DOS

IR

Vibrations