Geometry & MOs

Info

ID:	365023
PubChem CID:	127316673
Reduced:	FON2C16H21 (1)
Stoich.:	ABC2D16E21 (1)
Weight, g/mol:	388.08987
ΔH_f, kcal/mol:	-78.41
Dipole, Da:	4.78
IP(EA), eV:	-8.82(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN2CCCC2CN1C(=O)C3=C(C=CC(=C3)F)C

DOS

IR

Vibrations