Geometry & MOs

Info

ID:	365233
PubChem CID:	127317081
Reduced:	FON5C20H26 (1)
Stoich.:	ABC5D20E26 (1)
Weight, g/mol:	387.182588
ΔH_f, kcal/mol:	-26.66
Dipole, Da:	4.98
IP(EA), eV:	-8.78(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN2CCCC2CN1CC(=O)NC3=CC(=NN3C4=CC=C(C=C4)F)C

DOS

IR

Vibrations