Geometry & MOs

Info

ID:	306431
PubChem CID:	125011679
Reduced:	O2N6C17H22 (1)
Stoich.:	A2B6C17D22 (1)
Weight, g/mol:	331.200825
ΔH_f, kcal/mol:	18.33
Dipole, Da:	7.19
IP(EA), eV:	-9.31(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,5-dimethyl-1-propylpyrazol-4-yl)-[(3R)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone

Drug info:

PubChemData

Smile

C1CNCCC12C[C@H](CO2)N(C3=CC=CC=C3)C(=O)CN4C=NN=N4

DOS

IR

Vibrations