Geometry & MOs

Info

ID:	126583
PubChem CID:	50968885
Reduced:	ON3C21H33 (1)
Stoich.:	AB3C21D33 (1)
Weight, g/mol:	357.177645
ΔH_f, kcal/mol:	-42.96
Dipole, Da:	3.77
IP(EA), eV:	-8.68(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,6aR)-5-methyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide

Drug info:

PubChemData

Smile

CC(=O)N1CCC(CC1)N2CCCCC2C3=CC=C(C=C3)CN(C)C

DOS

IR

Vibrations