Geometry & MOs

Info

ID:	365012
PubChem CID:	127316662
Reduced:	ClO2N6C17H21 (1)
Stoich.:	AB2C6D17E21 (1)
Weight, g/mol:	234.148061
ΔH_f, kcal/mol:	18.01
Dipole, Da:	7.7
IP(EA), eV:	-8.93(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(1H-pyrazol-5-yl)methanone

Drug info:

PubChemData

Smile

CC1CN2CCCC2CN1C(=O)C3=CC(=C(C=C3OC)N4C=NN=N4)Cl

DOS

IR

Vibrations