Geometry & MOs

Info

ID:	306994
PubChem CID:	125264592
Reduced:	N2C13H18 (1)
Stoich.:	A2B13C18 (1)
Weight, g/mol:	349.193632
ΔH_f, kcal/mol:	49.18
Dipole, Da:	2.69
IP(EA), eV:	-8.53(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,3aR,6aS)-1-methyl-5-(1,3-thiazol-2-ylmethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-2-yl]-(4-methylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC2=C(CN=C2C=C1)CCN(C)C

DOS

IR

Vibrations