Geometry & MOs

Info

ID:	365102
PubChem CID:	127316844
Reduced:	O2N3C13H23 (1)
Stoich.:	A2B3C13D23 (1)
Weight, g/mol:	382.236876
ΔH_f, kcal/mol:	-98.79
Dipole, Da:	4.02
IP(EA), eV:	-8.81(0.91)
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)-[4-(2-methylpropoxy)-1-phenylpyrazol-3-yl]methanone

Drug info:

PubChemData

Smile

CC1CN2CCCC2CN1C(=O)CN(C)C(=O)C

DOS

IR

Vibrations