Geometry & MOs

Info

ID:	236251
PubChem CID:	92712065
Reduced:	ClFON3C18H21 (1)
Stoich.:	ABCD3E18F21 (1)
Weight, g/mol:	365.171497
ΔH_f, kcal/mol:	-67.67
Dipole, Da:	7.53
IP(EA), eV:	-8.54(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-6-methyl-1-propan-2-yl-N-[3-(trifluoromethyl)phenyl]-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=CC(=C(C=C3)F)Cl

DOS

IR

Vibrations