Geometry & MOs

Info

ID:	441207
PubChem CID:	135233617
Reduced:	NI2H11C14 (1)
Stoich.:	AB2C11D14 (1)
Weight, g/mol:	357.216475
ΔH_f, kcal/mol:	86.79
Dipole, Da:	4.17
IP(EA), eV:	-8.14(-2.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[5-(2,2-dimethylpropylamino)-6-(methylamino)pyridin-2-yl]pyrrolidin-1-yl]-(1,2-oxazol-3-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC2=C(C=CC1)N(C3=C2C=CC(=C3)I)I

DOS

IR

Vibrations