Geometry & MOs

Info

ID:	236218
PubChem CID:	92711942
Reduced:	O2N3C17H21 (1)
Stoich.:	A2B3C17D21 (1)
Weight, g/mol:	351.03825
ΔH_f, kcal/mol:	-39.48
Dipole, Da:	4.35
IP(EA), eV:	-8.38(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-N-(4-bromo-2-fluorophenyl)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC(=O)N2CCN3C=CC=C3[C@H]2C

DOS

IR

Vibrations