Geometry & MOs

Info

ID:	236250
PubChem CID:	92712064
Reduced:	N3O3C20H27 (1)
Stoich.:	A3B3C20D27 (1)
Weight, g/mol:	349.135718
ΔH_f, kcal/mol:	-90.34
Dipole, Da:	3.52
IP(EA), eV:	-8.26(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-N-(3-chloro-4-fluorophenyl)-6-methyl-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C2N1CCN([C@@H]2C(C)C)C(=O)NC3=C(C=CC(=C3)OC)OC

DOS

IR

Vibrations