Geometry & MOs

Info

ID:	187725
PubChem CID:	77615604
Reduced:	F4O4N5C31H33 (1)
Stoich.:	A4B4C5D31E33 (1)
Weight, g/mol:	378.241962
ΔH_f, kcal/mol:	-283.47
Dipole, Da:	7.01
IP(EA), eV:	-9.25(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3-amino-3-phenylpropyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[4-(methylamino)phenyl]methanone

Drug info:

PubChemData

Smile

C1COCC1OC(=O)NC(CCN2CC3CN(CC3C2)C(=O)C4=C(N(N=C4)C5=CC=C(C=C5)F)C(F)(F)F)C6=CC=CC=C6

DOS

IR

Vibrations