Geometry & MOs

Info

ID:	416353
PubChem CID:	135089366
Reduced:	NO3C23H33 (1)
Stoich.:	AB3C23D33 (1)
Weight, g/mol:	305.185175
ΔH_f, kcal/mol:	-98.51
Dipole, Da:	2.52
IP(EA), eV:	-8.59(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropanamine

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1OC)CN2CCC3(CC2)C=C(CCO3)C)CC=C

DOS

IR

Vibrations