Geometry & MOs

Info

ID:	198880
PubChem CID:	79165567
Reduced:	N2O2C15H24 (1)
Stoich.:	A2B2C15D24 (1)
Weight, g/mol:	291.20591
ΔH_f, kcal/mol:	-67.42
Dipole, Da:	4.44
IP(EA), eV:	-8.63(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone

Drug info:

PubChemData

Smile

CCNCC1=CC=C(C=C1)OCC2CN(CCO2)C

DOS

IR

Vibrations