Geometry & MOs

Info

ID:	126679
PubChem CID:	50973088
Reduced:	NO2C9H11 (2)
Stoich.:	AB2C9D11 (2)
Weight, g/mol:	405.187484
ΔH_f, kcal/mol:	-100.02
Dipole, Da:	6.27
IP(EA), eV:	-8.68(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[4-[1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-yl]pyridin-2-yl]phenyl]ethanone

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1O)CN2CCCN(CC2)C(=O)C3=CC=CO3

DOS

IR

Vibrations