Geometry & MOs

Info

ID:	173054
PubChem CID:	75590092
Reduced:	ON3C21H33 (1)
Stoich.:	AB3C21D33 (1)
Weight, g/mol:	314.235814
ΔH_f, kcal/mol:	-58.87
Dipole, Da:	5.2
IP(EA), eV:	-8.91(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-hex-3-enyl-5-methyl-3-phenyl-1,2,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-3-yl)methanol

Drug info:

PubChemData

Smile

CC1(CCN(C1)CC2=CC=CC=C2C3NC(CC(=O)N3)C(C)(C)C)C

DOS

IR

Vibrations